benz Mercedes-Benz India cruises to double-digit growth as demand for luxury cars rises By www.ibtimes.co.in Published On :: Wed, 13 Nov 2024 16:46:00 +0530 Mercedes-Benz India is on course to close the current year with a double-digit jump in sales, as demand for luxury cars increased. Full Article
benz C–H activation-enabled synthesis of a piperazine-embedded azadibenzo[a,g]corannulene analogue By pubs.rsc.org Published On :: Org. Chem. Front., 2024, Advance ArticleDOI: 10.1039/D4QO00415A, Research ArticleLin Huang, Mengyu Qiu, Zhihao Chang, Duncan L. Browne, Jianhui HuangThe first example of an azadibenzo[a,g]corannulene analogue with an embedded piperazine ring on the flank of its polycyclic skeleton is reported.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
benz Synthesis of benzothiophenes via sulfonium-[3,3]-rearrangement of aryl sulfoxides with allenenitriles By pubs.rsc.org Published On :: Org. Chem. Front., 2024, 11,2208-2214DOI: 10.1039/D4QO00121D, Research ArticleLei Zhang, Kun Wan, Huanhuan Wang, Mengyao Wang, Ao Cui, Xin Huang, Bo PengA facile synthesis of benzothiophenes from readily available aryl sulfoxides and allenenitriles has been established through sulfonium-rearrangement triggered cyclization.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
benz Iridium-catalyzed reductive γ-lactonization of ortho-acylbenzoic acids in water: sustainable access to phthalides By pubs.rsc.org Published On :: Org. Chem. Front., 2024, 11,2220-2230DOI: 10.1039/D3QO02019C, Research ArticleYang Chen, Jingyu Zhang, Hongguang Du, Renshi Luo, Jiaxi Xu, Zhanhui YangIridium-catalyzed reductive γ-lactonization of ortho-acylbenzoic acids in water provides a practical and sustainable route to phthalides.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
benz Selective deletion of one carbon atom from C60 through benzylamine mediated reactions By pubs.rsc.org Published On :: Org. Chem. Front., 2024, Advance ArticleDOI: 10.1039/D4QO00449C, Research ArticleYaqiong Wang, Yiran Wu, Yuming Yu, Jie Su, Yi Qiu, Liangbing GanBenzylamine selectively adds to one of the two carbonyl groups on the 9-membered orifice to form an N,O-aminal moiety. Subsequent oxidation and hydrogen atom transfer lead to a decarboxylation process and formation of a nor [59]fullerene derivative.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
benz Cr-mediated Photocatalytic Decarboxylative Coupling of alpha-Oxo Acids with Benzylic Pyridinium Salts By pubs.rsc.org Published On :: Org. Chem. Front., 2024, Accepted ManuscriptDOI: 10.1039/D4QO00475B, Research ArticleJia Cao, Yan Liu, Zhixiang Wang, Le LiuHerein, we report the chromium/photoredox dual catalytic synthesis of ketones using α-oxo acids with benzylic pyridinium salts. This reaction proceeded by photocatalytic generation of acyl radical from α-oxo acids and...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
benz Cobalt-catalysed Csp3–Csp3 cross-coupling of benzyl Katritzky pyridinium salts with Callyl–O electrophiles By pubs.rsc.org Published On :: Org. Chem. Front., 2024, Advance ArticleDOI: 10.1039/D4QO00402G, Research ArticleMengyu Gao, Corinne GosminiDifferent allylbenzyl derivatives are synthesized by Co-catalyzed reductive cross-coupling from functionalized benzyl Katritzky pyridinium salts and various allylic acetates, ethers or carbonates in moderate to good yields under mild conditions.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
benz Efficient Synthesis of Benzophosphole Oxides by Ag-Promoted Radical Cycloisomerization By pubs.rsc.org Published On :: Org. Chem. Front., 2024, Accepted ManuscriptDOI: 10.1039/D4QO00552J, Research Article Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Liyao Ma, Sonia Mallet-Ladeira, Julien MONOT, Blanca Maria MARTIN VACA, Didier BourissouCycloisomerization reactions involving C–P bond formation have been overlooked to prepare P-heterocycles. We discovered here a simple, efficient and versatile route to benzophosphole oxides by reacting ortho-alkynyl secondary phosphine oxides...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
benz Substituent-controlled divergent cyclization reactions of benzo[c][1,2]dithiol-3-ones and hexahydro-1,3,5-triazines By pubs.rsc.org Published On :: Org. Chem. Front., 2024, Advance ArticleDOI: 10.1039/D4QO00356J, Research ArticleBohao Zhang, Sifan He, Na Dong, Antong Zhu, Haojie Duan, Dunjia Wang, Yao ZhouAn unprecedented metal-free divergent cyclization reaction of benzo[c][1,2]dithiol-3-ones with hexahydro-1,3,5-triazines to assemble six- and eight-membered N-containing heterocycles has been developed.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
benz Expedient deaminative phosphorylation and sulfonylation of benzylic tertiary amines enabled by difluorocarbene By pubs.rsc.org Published On :: Org. Chem. Front., 2024, Advance ArticleDOI: 10.1039/D4QO00412D, Research ArticleChengbo Li, Yu Guo, Jianke Su, Xinyuan Hu, Qingqing Xuan, Qiuling SongA deaminative functionalization of aliphatic tertiary amines via the cleavage of C(sp3)–N bonds under transition metal-free conditions was disclosed, which goes through SN2 reaction with various phosphorus and sulfur nucleophiles.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
benz Porous carbon nitride rods as an efficient photoanode for water splitting and benzylamine oxidation By pubs.rsc.org Published On :: J. Mater. Chem. A, 2024, Advance ArticleDOI: 10.1039/D4TA00237G, PaperSanjit Mondal, Gabriel Mark, Ayelet Tashakory, Michael Volokh, Menny ShalomA polymeric carbon nitride layer with controlled directionality, morphology, and nitrogen defects serves as a photoanode to allow photoelectrochemical (PEC) water-splitting and benzylamine oxidation.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
benz Pyridinyl 4-(2-oxoalkylimidazolidin-1-yl)benzenesulfonates and their hydrochloride salts as novel water soluble antimitotic prodrugs bioactivated by cytochrome P450 1A1 in breast cancer cells By pubs.rsc.org Published On :: RSC Med. Chem., 2024, 15,3728-3745DOI: 10.1039/D4MD00476K, Research ArticleVincent Ouellette, Chahrazed Bouzriba, Atziri Corin Chavez Alvarez, Quentin Bruxelles, Geneviève Hamel-Côté, Sébastien FortinNew water soluble antimitotic CYP1A1-activated prodrugs named PYRAIB-SOs and their hydrochlorides targeting breast cancers.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
benz Design and synthesis of novel 8-(azaindolyl)-benzoazepinones as potent and selective ROCK inhibitors By pubs.rsc.org Published On :: RSC Med. Chem., 2024, 15,3862-3879DOI: 10.1039/D4MD00313F, Research ArticleDaniele Pala, David Clark, Christine Edwards, Elisa Pasqua, Laura Tigli, Barbara Pioselli, Piotr Malysa, Fabrizio Facchinetti, Fabio Rancati, Alessandro AccettaThis study reports a novel, potent and selective series of ROCK inhibitors based on 8-(azaindolyl)-benzoazepinones identified through a core-hopping strategy.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
benz Mercedes Benz To Hire 1,000 Engineers For R&D In India By jobs.siliconindia.com Published On :: Luxury automotive major Mercedes Benz today said it will hire 1,000 engineers in the country next year for its research and development (R&D) initiatives in India. Full Article
benz Mercedes-Benz GLE: is it the best family luxury SUV under Rs 1 crore? By www.autocarindia.com Published On :: Sat, 9 Nov 2024 09:00:00 +1000 I am looking for a luxurious family car between Rs 1 crore and Rs 1.5 crore. We’re a family of five – three adults and two kids – so my priority is comfort. It needs to be a recognisable brand, have a decent road presence and have updated technology. I will be driving the car, but my usage will be very low. I can extend my budget slightly if you strongly recommend a car. I am not in favour of EVs and would prefer petrol. Mohit Sarin, New Delhi Autocar India says: There’s a fair bit of choice for your budget, but we would suggest you look at the Mercedes-Benz GLE. It has a good road presence, is a very strong brand, the back seat is spacious, the MBUX infotainment system has the best on-board tech, and it is fairly reliable. Also See: Mercedes Benz GLE facelift review: Small updates for big Merc SUV Mercedes Benz GLE facelift video review Mercedes-AMG GLE 53 Coupe review: The everyday AMG Full Article
benz Mercedes-Benz GLE: is it the best family luxury SUV under Rs 1 crore? By www.autocarindia.com Published On :: Sat, 9 Nov 2024 09:00:00 +1000 I am looking for a luxurious family car between Rs 1 crore and Rs 1.5 crore. We’re a family of five – three adults and two kids – so my priority is comfort. It needs to be a recognisable brand, have a decent road presence and have updated technology. I will be driving the car, but my usage will be very low. I can extend my budget slightly if you strongly recommend a car. I am not in favour of EVs and would prefer petrol. Mohit Sarin, New Delhi Autocar India says: There’s a fair bit of choice for your budget, but we would suggest you look at the Mercedes-Benz GLE. It has a good road presence, is a very strong brand, the back seat is spacious, the MBUX infotainment system has the best on-board tech, and it is fairly reliable. Also See: Mercedes Benz GLE facelift review: Small updates for big Merc SUV Mercedes Benz GLE facelift video review Mercedes-AMG GLE 53 Coupe review: The everyday AMG Full Article
benz Mercedes-Benz E-Class vs BMW 5 Series comparison video By www.autocarindia.com Published On :: Thu, 31 Oct 2024 12:40:00 +1000 Also see: New Mercedes E-Class video review Full Article
benz Mercedes-Benz Malaysia Introduces the Mercedes-Benz GLC 350 e 4MATIC Coupe By thesun.my Published On :: Fri, 08 Nov 2024 14:49:14 GMT Alongside the AMG models that were introduced, Mercedes-Benz Malaysia also unveiled the Mercedes-Benz GLC 350 e 4MATIC Coupe.The Mercedes-Benz GLC 350 e 4MATIC Coupe is a plug-in hybrid model that emphasises both luxury and practicality. The GLC 350 e offers an impressive all-electric range of over 100km (WLTP) and supports speeds up to 140km/h on electric power alone, making it a versatile choice for urban and longer-distance driving.Design and Exterior FeaturesThe GLC Coupe’s sporty silhouette is complemented by an AMG Line exterior, highlighted with 20-inch AMG multi-spoke alloy wheels, a panoramic sliding sunroof, and aluminium-look running boards with rubber studs. Polished aluminium roof rails enhance its premium profile, while the Digital Light technology with Adaptive Highbeam Assist Plus ensures high visibility across various driving conditions.Interior and TechnologyInside, the GLC Coupé continues the AMG Line’s sporty aesthetic, with Artico man-made leather upholstery crafted to play with layered surfaces for a premium feel. The instrument panel and beltlines feature Artico leather in a nappa look, paired with a metal structure trim element. Adding to the luxury is a multifunction sports steering wheel in nappa leather and a high-quality Burmester 3D surround sound system.Safety and Assistance FeaturesEquipped with the Driving Assistance Plus package, the GLC 350 e offers Active Distance Assist Distronic, Active Lane Keeping Assist, and Pre-Safe Impulse Side, delivering enhanced safety and driver support.This new GLC 350 e 4MATIC Coupe is priced at RM425,888. Full Article
benz Mercedes-Benz Malaysia Unveils New AMG Lineup: G63, SL63, GLE 63 S and GLC 43 By thesun.my Published On :: Fri, 08 Nov 2024 15:05:00 GMT Mercedes-Benz Malaysia has introduced a few new AMG models to their lineup here which are the Mercedes-AMG G63, AMG SL 63 4MATIC+, AMG GLE 63 S 4MATIC+ Coupe and the AMG GLC 43 4MATIC Coupe.G63 AMGThe all-new Mercedes-AMG G63 made waves when it was introduced to the world earlier this year. It marks the continuation of an icon and is now powered by the tried-and-tested AMG 4.0-litre V8 Bi-Turbo engine. It puts out 585hp and 850Nm of torque. One of the key new features is the combination of the 48-volt technology and an integrated starter generator (ISG). This lets the new G63 put out an additional 20hp and 200Nm for a short burst. In terms of performance, the AMG G63 accelerates to 100km/h in just 4.4 seconds as the AMG Speedshift TCT 9G transmission providing ultra quick shifts, while top speed is rated at 220km/h. The top speed goes up to 240km/h with the optional AMG Performance Package. All that bulk is kept in check with the AMG Active Ride Control suspension with active, hydraulic roll stabilisation and adaptive adjustable damping. In terms of design, the new G63 is distinguished by the new AMG-specific radiator shell and large air inlet grille in the front bumper. The AMG Night Package on the other hand adds sporty, expressive design elements in black or dark chrome.Red-painted AMG brake callipers with perforated brake discs are a silent hint at what the car is capable of while 22-inch AMG cross-spoke forged wheels round off the exterior. For the interior, the Superior Line interior transforms the inside into a luxurious lounge. Highlights include a sliding sunroof, instrument panel in nappa leather, diamond design elements and active multi-contour seats including massage seats and seat climate control which are part of the Energizing Package. The interior is further enhanced with AMG Carbon-Fibre and Nappa leather upholstery. Entertainment is provided by the Burmester 3D surround sound system which provides an immersive experience through the Dolby Atmos feature. Entertainment and other features such as navigation can be accessed through the 12.3-inch infotainment system that offers the MBUX Augmented Reality Navigation which superimposes graphic navigation and traffic information on line imagine on the infotainment screen. The new Mercedes-AMG G63 is priced from RM1,948,888 without insurance and individualisation. Full Article
benz Bale and Benzema on target By english.pravda.ru Published On :: Wed, 28 Jan 2015 02:14:00 +0300 Messi gets a brace at Barça, along with Neymar. At Real, Bale and Benzema hit the net. Chelsea reaches the League Cup Final in England as January draws to a close and one of the European Leagues frozen out of winter starts to revive. Next week the Bundesliga is back. I present this year the latest updates in four competitions: the National Championships, the Champions and Europa Leagues and the Qualifiers for UEFA 2016 in France, as well as all the matches played for our readers to follow the evolution of the competitions. UEFA National Championships 2014-2015 Full Article Sport
benz Structural transformations and stability of benzo[a]pyrene under high pressure By journals.iucr.org Published On :: This study explores the high-pressure behavior of benzo[a]pyrene, revealing two previously unknown polymorphs at 4.8 and 7.1 GPa. These findings enhance our understanding of the structural dynamics and stability of polycyclic aromatic hydrocarbons under extreme conditions. Full Article text
benz Crystal structure and Hirshfeld surface analysis of bis(benzoylacetonato)(ethanol)dioxidouranium(VI) By journals.iucr.org Published On :: In the complex, the ligand binds to the metal through an oxygen atom. The geometry of the seven-coordinate U atom is pentagonal bipyramidal, with the uranyl O atoms in apical positions. Full Article text
benz Methyl 1-(4-fluorobenzyl)-1H-indazole-3-carboxylate By journals.iucr.org Published On :: 2023-11-23 The title compound, C16H13FN2O2, was synthesized by nucleophilic substitution of the indazole N—H hydrogen atom of methyl 1H-indazole-3-carboxylate with 1-(bromomethyl)-4-fluorobenzene. In the crystal, some hydrogen-bond-like interactions are observed. Full Article text
benz 5,6-Dimethylbenzo[d][1,3]oxatellurole By journals.iucr.org Published On :: 2024-01-05 The structure of the title compound, C9H10OTe, at 100 K has orthorhombic (P21212) symmetry with two independent molecules in the asymmetric unit (Z' = 2). The molecules are folded along their Te⋯O axes, with their Te–C–O planes angled at an average of 25.1° with respect to the remaining non-H atoms, which are almost coplanar (average deviation from planarity = 0.04 Å). A Hirshfeld plot shows weak intermolecular interactions between the two Te atoms located in each asymmetric molecule, with a Te⋯Te distance of 3.7191 (4) Å. The structure is strongly pseudosymmetric to the space group Pccn with Z' = 1. The crystal chosen for data collection was found to be was an inversion twin. Full Article text
benz 2-Aminobenzoxazole–oxalic acid (2/1) By journals.iucr.org Published On :: 2024-01-26 In the title compound, 2C7H7N2O+·C2O42−, proton transfer from oxalic acid to the N atom of the heterocycle has occurred to form a 2:1 molecular salt. In the extended structure, N—H⋯O hydrogen bonds link the components into [100] chains, which feature R22(8) and R44(14) loops. Full Article text
benz Synthesis and structure of trans-bis(4-amino-3-nitrobenzoato-κO)bis(4-amino-3-nitrobenzoic acid-κO)diaquamanganese(II) dihydrate By journals.iucr.org Published On :: 2024-01-19 The manganese title complex, [Mn(C7H5N2O4)2(C7H6N2O4)2(H2O)2]·2H2O, is one of the first 4-amino 3-nitrobenzoic acid (4 A3NBA) monoligand metal complexes to be synthesized. It crystallizes in the centrosymmetric monoclinic space group P21/n with the complex molecules located on inversion centers. Four 4 A3NBA ligand molecules are monodentately coordinated by the Mn2+ ion through the carboxylic oxygen atoms while the other two positions of the inner coordination sphere are occupied by water molecules, giving rise to a distorted octahedron, and two water molecules are in the outer coordination sphere. There are two intramolecular hydrogen bonds in the complex molecule. The first is of the common N—H⋯O=N type, while the second is a rarely occurring very strong hydrogen bond in which a common proton is shared by two uncoordinated oxygen atoms of neighboring carboxylate groups. In the crystal, an intricate system of intermolecular hydrogen bonds links the complex molecules into a three-dimensional-network. Full Article text
benz Bis[2,6-bis(benzimidazol-2-yl)pyridine-κ3N,N',N'']nickel(II) bis(trifluoromethanesulfonate) diethyl ether monosolvate By journals.iucr.org Published On :: 2024-01-31 In the title complex, [Ni(C19H13N5)2](CF3SO3)2·(CH3CH2)2O, the central NiII atom is sixfold coordinated by three nitrogen atoms of each 2,6-bis(2-benzimidazolyl)pyridine ligand in a distorted octahedral geometry with two trifluoromethanesulfonate ions and a molecule of diethyl ether completing the outer coordination sphere of the complex. Hydrogen bonding contributes to the organization of the asymmetric units in columns along the a axis generating a porous supramolecular structure. The structure was refined as a two-component twin with a refined BASF value of 0.4104 (13). Full Article text
benz Prop-2-ynyl 3-methoxy-4-(prop-2-ynyloxy)benzoate By journals.iucr.org Published On :: 2024-02-27 The title compound, C14H12O4, comprises of two crystallographically independent molecules in the asymmetric unit, linked via C—H⋯O interactions to form dimeric entities. The allylic groups are twisted out of the phenyl planes with dihedral angles varying between 7.92 (13) and 25.42 (8)°. In the crystal, the packing follows a zigzag pattern along the c-axis direction. The absolute configuration of the sample could not be determined reliably. Full Article text
benz erythro-{1-Bromo-1-[(1-phenylethyl)sulfonyl]ethyl}benzene By journals.iucr.org Published On :: 2024-03-06 The title compound, C16H17BrO2S, crystallizes as the erythro (RR/SS) isomer of a pair of sulfones that were diastereomeric due to chirality of the α-carbon atoms on the sulfone sulfur atom. The structural analysis was pivotal in showing that the 1,3 elimination reactions of these compounds, which lead to substituted stilbenes, occur with inversion at each asymmetric carbon atom. In the crystal, C—H⋯Br and C—H⋯O hydrogen bonds link the molecules into a tri-periodic intermolecular network. Full Article text
benz 4-Fluoro-2-(phenylamino)benzoic acid By journals.iucr.org Published On :: 2024-03-06 The title compound, C13H10FNO2, was obtained by the reaction of 2-bromo-4-fluorobenzoic acid with aniline. There are two independent molecules, A and B, in the asymmetric unit, with slight conformational differences: the dihedral angles between the aromatic rings are 55.63 (5) and 52.65 (5)°. Both molecules feature an intramolecular N—H⋯O hydrogen bond. In the crystal, the molecules are linked by pairwise O—H⋯O hydrogen bonds to form A–B acid–acid dimers and weak C—H⋯F interactions further connect the dimers. Full Article text
benz 5-Bromo-2-(phenylamino)benzoic acid By journals.iucr.org Published On :: 2024-03-06 The title compound, C13H10BrNO2, was obtained by the reaction of 2,5-dibromobenzoic acid and aniline. The molecule is twisted with a dihedral angle between the aromatic rings of 45.74 (11)° and an intramolecular N—H⋯O hydrogen bond is seen. In the crystal, pairwise O—H⋯O hydrogen bonds generate carboxylic acid inversion dimers. Full Article text
benz 4-Fluorobenzyl (Z)-2-(2-oxoindolin-3-ylidene)hydrazine-1-carbodithioate By journals.iucr.org Published On :: 2024-03-19 The title compound, C16H12FN3OS, a fluorinated dithiocarbazate imine derivative, was synthesized by the one-pot, multi-component condensation reaction of hydrazine hydrate, carbon disulfide, 4-fluorobenzyl chloride and isatin. The compound demonstrates near-planarity across much of the molecule in the solid state and a Z configuration for the azomethine C=N bond. The Z form is further stabilized by the presence of an intramolecular N—H⋯O hydrogen bond. In the extended structure, molecules are linked into dimers by N—H⋯O hydrogen bonds and further connected into chains along either [2overline{1}0] or [100] by weak C—H⋯S and C—H⋯F hydrogen bonds, which further link into corrugated sheets and in combination form the overall three-dimensional network. Full Article text
benz Bis[2,6-bis(1H-benzimidazol-2-yl)pyridine]ruthenium(II) bis(hexafluoridophosphate) diethyl ether trisolvate By journals.iucr.org Published On :: 2024-03-28 The title compound, [Ru(C19H13N5)2](PF6)2·3C4H10O, was obtained from the reaction of Ru(bimpy)Cl3 [bimpy is 2,6-bis(1H-benzimidazol-2-yl)pyridine] and bimpy in refluxing ethanol followed by recrystallization from diethyl ether/acetonitrile. At 125 K the complex has orthorhombic (Pca21) symmetry. It is remarkable that the structure is almost centrosymmetric. However, refinement in space group Pbcn leads to disorder and definitely worse results. It is of interest with respect to potential catalytic reduction of CO2. The structure displays N—H⋯O, N—H⋯F hydrogen bonding and significant π–π stacking and C—H⋯π stacking interactions. Full Article text
benz 13-Nitrobenzo[a][1,4]benzothiazino[3,2-c]phenoxazine By journals.iucr.org Published On :: 2024-04-26 In the title compound, C22H11N3O3S, dihedral angle between the phenyl rings on the periphery of the molecule is 8.05 (18)°. In the crystal, aromatic π–π stacking distance and short C—H⋯O contacts are observed. The maximum absorption occurs at 688 nm. Full Article text
benz Ethidium benzoate methanol monosolvate By journals.iucr.org Published On :: 2024-04-18 In the title salt solvate (systematic name: 8-amino-5-ethyl-6-phenylphenanthridin-5-ium benzoate methanol monosolvate), C21H20N3+·C6H5CO2−·CH3OH, two ethidium cations, C21H20N3+, dimerize about a twofold axis through π–π interactions [inter-centroid separation = 3.6137 (4) Å]. The benzoate anions are connected through hydrogen bonding with the –NH2 groups of the ethidium cations and the –OH group of the MeOH molecule. The MeOH molecule also accepts a hydrogen bond from the –NH2 group of the ethidium cation. The result is a one-dimensional hydrogen-bonded chain along the b-axis direction. Full Article text
benz Benzo[a][1,4]benzothiazino[3,2-c]phenothiazine By journals.iucr.org Published On :: 2024-04-30 The title compound, C22H12N2S2, crystallizes in space group P21/c with four molecules in the asymmetric unit. The heterocyclic molecule is quasi-planar with a dihedral angle between the phenyl rings on the periphery of the molecule of 1.73 (19)°. Short H⋯S (2.92 Å) and C—H⋯π [2.836 (3) Å] contacts are observed in the crystal with shorted π–π stacking distances of 3.438 (3) Å along the b axis. Surprisingly, and unlike a closely related material, this molecule readily forms large crystals by sublimation and by slow evaporation from dichloromethane. The maximum absorbance in the UV-Vis spectrum is at 533 nm. Emission was measured upon excitation at 533 nm with a fluorescence λmax of 658 nm and cutoff of 900 nm. Full Article text
benz Methyl 2-hydroxy-4-iodobenzoate By journals.iucr.org Published On :: 2024-05-17 The structure of the title compound, C8H7IO3, at 90 K has monoclinic (P21/c) symmetry. The extended structure is layered and displays intermolecular and intramolecular hydrogen bonding arising from the same OH group. Full Article text
benz Poly[[{μ2-5-[(dimethylamino)(thioxo)methoxy]benzene-1,3-dicarboxylato-κ4O1,O1':O3,O3'}(μ2-4,4'-dipyridylamine-κ2N4:N4')cobalt(II)] dimethylformamide hemisolvate monohydrate] By journals.iucr.org Published On :: 2024-06-04 In the crystal structure of the title compound, {[Co(C11H9NSO5)(C10H9N3)]0.5C3H7NO·H2O}n or {[Co(dmtb)(dpa)]·0.5DMF·H2O}n (dmtb2– = 5-[(dimethylamino)thioxomethoxy]-1,3-benzenedicarboxylate and dpa = 4,4'-dipyridylamine), an assembly of periodic [Co(C11H9NSO5)(C10H9N3)]n layers extending parallel to the bc plane is present. Each layer is constituted by distorted [CoO4N2] octahedra, which are connected through the μ2-coordination modes of both dmtb2– and dpa ligands. Occupationally disordered water and dimethylformamide (DMF) solvent molecules are located in the voids of the network to which they are connected through hydrogen-bonding interactions. Full Article text
benz (2,5-Dimethylimidazole){N,N',N'',N'''-[porphyrin-5,10,15,20-tetrayltetra(2,1-phenylene)]tetrakis(pyridine-3-carboxamide)}manganese(II) chlorobenzene disolvate By journals.iucr.org Published On :: 2024-06-04 In the title compound, [Mn(C68H44N12O4)(C5H8N2)]·2C6H5Cl, the central MnII ion is coordinated by four pyrrole N atoms of the porphyrin core in the basal sites and one N atom of the 2,5-dimethylimidazole ligand in the apical site. Two chlorobenzene solvent molecules are also present in the asymmetric unit. Due to the apical imidazole ligand, the Mn atom is displaced out of the 24-atom porphyrin mean plane by 0.66 Å. The average Mn—Np (p = porphyrin) bond length is 2.143 (8) Å, and the axial Mn—NIm (Im = 2,5-dimethylimidazole) bond length is 2.171 (8) Å. The structure displays intermolecular and intramolecular N—H⋯O, N—H⋯N, C—H⋯O and C—H⋯N hydrogen bonding. The crystal studied was refined as a two-component inversion twin. Full Article text
benz Benzene-1,2,4,5-tetrol By journals.iucr.org Published On :: 2024-06-28 The crystal structure of the title compound was determined at 120 K. It crystallizes in the triclinic space group Poverline{1} with four independent molecules in the asymmetric unit. In the crystal, each symmetry-unique molecule forms π–π stacks on itself, giving four unique π–π stacking interactions. Intermolecular hydrogen bonding is observed between each pair of independent molecules, where each hydroxy group can act as a hydrogen-bond donor and acceptor. Full Article text
benz Poly[[μ3-2-(benzotriazol-1-yl)acetato-κ3O:O':N3]chlorido(ethanol-κO)cobalt(II)] By journals.iucr.org Published On :: 2024-07-05 In the title compound, [Co(C8H6N3O2)Cl(C2H5OH)]n, the CoII atoms adopt octahedral trans-CoN2O4 and tetrahedral CoCl2O2 coordination geometries (site symmetries overline{1} and m, respectively). The bridging μ3-O:O:N 2-(benzotriazol-1-yl)acetato ligands connect the octahedral cobalt nodes into (010) sheets and the CoCl2 fragments link the sheets into a tri-periodic network. The structure displays O—H⋯O hydrogen bonding and the ethanol molecule is disordered over two orientations. Full Article text
benz (η6-Benzene)chlorido[(S)-2-(4-isopropyl-4,5-dihydrooxazol-2-yl)phenolato]ruthenium(II) By journals.iucr.org Published On :: 2024-07-26 The title compound, [Ru(C12H14NO2)Cl(η6-C6H6)], exhibits a half-sandwich tripod stand structure and crystallizes in the orthorhombic space group P212121. The arene group is η6 π-coordinated to the Ru atom with a centroid-to-metal distance of 1.6590 (5) Å, with the (S)-2-(4-isopropyl-4,5-dihydrooxazol-2-yl)phenolate chelate ligand forming a bite angle of 86.88 (19)° through its N and phenolate O atoms. The pseudo-octahedral geometry assumed by the complex is completed by a chloride ligand. The coordination of the optically pure bidentate ligand induces metal centered chirality onto the complex with a Flack parameter of −0.056. Full Article text
benz 4-[(2-Phenylethyl)amino]benzoic acid By journals.iucr.org Published On :: 2024-08-06 The title compound, C15H15NO2, crystallizes with two molecules in the asymmetric unit. In the crystal, the two molecules associate to form an acid–acid dimer by pairwise O—H⋯O hydrogen bonds. Full Article text
benz Redetermined structure of 4-(benzyloxy)benzoic acid By journals.iucr.org Published On :: 2024-08-06 In the title compound, C14H14O3, the dihedral angle between the aromatic rings is 39.76 (9)°. In the crystal, the molecules associate to form centrosymmetric acid–acid dimers linked by pairwise O—H⋯O hydrogen bonds. The precision of the geometric parameters in the present single-crystal study is about an order of magnitude better than the previous powder diffraction study [Chattopadhyay et al. (2013). CrystEngComm, 15, 1077–1085]. Full Article text
benz μ-Chlorido-bis{[1-benzyl-3-(2,4,6-trimethylphenyl)imidazol-2-ylidene-κC]silver(I)} chloride 1,2-dichloroethane hemisolvate By journals.iucr.org Published On :: 2024-09-10 The title compound, [Ag2(C19H20N2)4]Cl·0.5C2H4Cl2, can be readily generated by treatment of (1-benzyl-3-(2,4,6-trimethylphenyl)imidazolium chloride with sodium bis(trimethylsilyl)amide followed by silver chloride. The molecular structure of the compound was confirmed using NMR spectroscopy and single-crystal X-ray diffraction analysis. The crystal structure of the title compound at 110 K has monoclinic (P21/c) symmetry. The represented silver compound is of interest with respect to antibacterial properties and the structure displays a series of weak intermolecular hydrogen-bonding interactions with the chloride counter-anion. Full Article text
benz 4-Bromo-N,N'-diphenylbenzimidamide N'-oxide By journals.iucr.org Published On :: 2024-10-08 The title compound, C19H15BrN2O, crystallizes with two similar molecules in the asymmetric unit. The extended structure features dimers linked by pairs of N—H⋯O and C—H⋯O hydrogen bonds. The HNCNO moiety of the title compound shows delocalization over the N—C—N part, as evidenced by the similar C—N bond distances. Full Article text
benz (1H-Benzodiazol-2-ylmethyl)diethylamine By journals.iucr.org Published On :: 2024-10-31 In the crystal of the title compound, C12H17N3, the molecules are linked by N—H⋯N hydrogen bonds, generating a C(4) chain extending along the c-axis direction. One of the ethyl groups is disordered over two sets of sites with a refined occupancy ratio of 0.582 (15):0.418 (15). Full Article text
benz Benzilic acid: a monoclinic polymorph By journals.iucr.org Published On :: 2024-10-31 The title compound, C14H12O3, is an α-hydroxycarboxylic acid whose orthorhombic polymorph has been reported earlier [Qiu et al. (2007). Inorg. Chim. Acta, 360, 1819–1824]. The asymmetric unit contains two complete molecules. Classical hydrogen bonds, as well as C—H⋯O contacts, connect the molecules to infinite chains along the crystallographic c-axis direction. Full Article text
benz 3-[(Benzo-1,3-dioxol-5-yl)amino]-4-methoxycyclobut-3-ene-1,2-dione: polymorphism and twinning of a precursor to an antimycobacterial squaramide By journals.iucr.org Published On :: 2024-07-05 The title compound, 3-[(benzo-1,3-dioxol-5-yl)amino]-4-methoxycyclobut-3-ene-1,2-dione, C12H9NO5 (3), is a precursor to an antimycobacterial squaramide. Block-shaped crystals of a monoclinic form (3-I, space group P21/c, Z = 8, Z' = 2) and needle-shaped crystals of a triclinic form (3-II, space group P-1, Z = 4, Z' = 2) were found to crystallize concomitantly. In both crystal forms, R22(10) dimers assemble through N—H⋯O=C hydrogen bonds. These dimers are formed from crystallographically unique molecules in 3-I, but exhibit crystallographic Ci symmetry in 3-II. Twinning by pseudomerohedry was encountered in the crystals of 3-II. The conformations of 3 in the solid forms 3-I and 3-II are different from one another but are similar for the unique molecules in each polymorph. Density functional theory (DFT) calculations on the free molecule of 3 indicate that a nearly planar conformation is preferred. Full Article text
benz Photoinduced bidirectional mesophase transition in vesicles containing azobenzene amphiphiles By journals.iucr.org Published On :: 2024-05-28 The functionality and efficiency of proteins within a biological membrane are highly dependent on both the membrane lipid composition and the physiochemical properties of the solution. Lipid mesophases are directly influenced by changes in temperature, pH, water content or due to individual properties of single lipids such as photoswitchability. In this work, we were able to induce light- and temperature-driven mesophase transitions in a model membrane system containing a mixture of 1,2-dipalmitoyl-phosphatidylcholine phospholipids and azobenzene amphiphiles. We observed reversible and reproducible transitions between the lamellar and Pn3m cubic phase after illuminating the sample for 5 min with light of 365 and 455 nm wavelengths, respectively, to switch between the cis and trans states of the azobenzene N=N double bond. These light-controlled mesophase transitions were found for mixed complexes with up to 20% content of the photosensitive molecule and at temperatures below the gel-to-liquid crystalline phase transition temperature of 33°C. Our results demonstrate the potential to design bespoke model systems to study the response of membrane lipids and proteins upon changes in mesophase without altering the environment and thus provide a possible basis for drug delivery systems. Full Article text