two NFL calls scheduling of only two simultaneous Bucs, Patriots game “coincidental” By sports.yahoo.com Published On :: Sun, 10 May 2020 04:55:07 GMT If Patriots fans want to separately watch the Patriots and Bill Belichick and the Buccaneers and Tom Brady (and Rob Gronkowski) this year, they can do so at least 14 times. As noted by Mike Reiss of ESPN.com, the two teams don't play at the same time until late in the 2020 season. It happens [more] Full Article article Sports
two Banksy reveals new artwork under COVID-19 quarantine By www.rediff.com Published On :: Thu, 16 Apr 2020 09:24:17 +0530 The elusive anonymous artist, who usually works in the street, posted a set of images on his Instagram, with the caption: "My wife hates it when I work from home." Full Article Banksy
two Two sailors of INS Netaji Subhash in Kolkata tested for coronavirus By www.newkerala.com Published On :: Fri, 08 May 2020 11:00:03 +0530 Full Article
two Two special trains with migrants leave TN for Bihar, Jharkhand By www.newkerala.com Published On :: Sat, 09 May 2020 12:27:01 +0530 Full Article
two Two women command AI Express flights on evacuation mission By www.newkerala.com Published On :: Sat, 09 May 2020 17:05:01 +0530 Full Article
two Venezuela charges two former U.S. soldiers with terrorism, conspiracy By www.thehindu.com Published On :: Sat, 09 May 2020 22:01:25 +0530 They allegedly took part in a failed bid to topple Maduro Full Article International
two Two buses to ferry stranded people of Naoriya Pakhanglakpa AC By Published On :: Two buses to ferry stranded people of Naoriya Pakhanglakpa AC Full Article
two Two positive patients give birth in Victoria Hospital By www.thehindu.com Published On :: Sat, 09 May 2020 22:50:53 +0530 Newborns have been separated from mothers and kept under isolation Full Article Karnataka
two ACP, two inspectors suspended By www.thehindu.com Published On :: Sat, 09 May 2020 21:41:13 +0530 The Home Department on Saturday suspended Prabhushankar, Assistant Commissioner of Police (ACP), Fraud and Misappropriation Wing, Central Crime Branch Full Article Bengaluru
two Bengaluru: Two Covid-19 positive women give birth to 3 babies | Bengaluru News - Times of India By Published On :: Bengaluru: Two Covid-19 positive women give birth to 3 babies | Bengaluru News - Times of India Full Article
two Covid-19: Two members of White House coronavirus task force in quarantine By www.business-standard.com Published On :: Sun, 10 May 2020 10:36:00 +0530 Vice President Mike Pence's press secretary tested positive for the coronavirus on Friday Full Article
two NIA issues arrest warrants against two terrorists in Punjab drone arms drop case By www.newkerala.com Published On :: Thu, 13 Feb 2020 01:27:01 +0530 Full Article
two Shatabdi mows down two in Punjab By www.newkerala.com Published On :: Mon, 02 Mar 2020 06:02:01 +0530 Full Article
two Two preliminary tests positive for coronavirus in Punjab By www.newkerala.com Published On :: Sat, 07 Mar 2020 15:15:02 +0530 Full Article
two Two test positive for nCoV in Punjab; health improving By www.newkerala.com Published On :: Sun, 08 Mar 2020 05:43:01 +0530 Full Article
two Two test positive for COVID-19 in Amritsar By www.newkerala.com Published On :: Sun, 08 Mar 2020 12:28:02 +0530 Full Article
two Punjab will fill up one lakh vacancies in two years: CM By www.newkerala.com Published On :: Tue, 17 Mar 2020 06:01:01 +0530 Full Article
two 10-month-old among two test positive for COVID-19 in Chandigarh By www.newkerala.com Published On :: Fri, 03 Apr 2020 08:52:01 +0530 Full Article
two Containment zones made in Punjab's Mohali and Mauli Baidwan districts after two test positive for COVID-19 By www.newkerala.com Published On :: Sun, 05 Apr 2020 15:04:02 +0530 Full Article
two Two more people test positive for COVID-19 in Ludhiana By www.newkerala.com Published On :: Thu, 09 Apr 2020 17:42:02 +0530 Full Article
two Two COVID-19 positive cases reported from Chandigarh, UT's tally rises to 21 By www.newkerala.com Published On :: Mon, 13 Apr 2020 08:27:02 +0530 Full Article
two PGI-Chandigarh cures, discharges two Covid-19 patients By www.newkerala.com Published On :: Wed, 15 Apr 2020 09:01:02 +0530 Full Article
two Two hostels of Panjab University to be converted into quarantine centres By www.newkerala.com Published On :: Wed, 29 Apr 2020 15:31:02 +0530 Full Article
two Punjab extends curfew by two weeks after May 3 By www.newkerala.com Published On :: Wed, 29 Apr 2020 17:54:01 +0530 Full Article
two Combating COVID-19: Punjab CM announces to extend curfew for two more weeks By www.newkerala.com Published On :: Thu, 30 Apr 2020 08:08:02 +0530 Full Article
two Two aides of Naikoo's accomplice nabbed in Amritsar By www.newkerala.com Published On :: Fri, 08 May 2020 08:23:02 +0530 Full Article
two Two drug smugglers arrested from Sirsa: Punjab DGP By www.newkerala.com Published On :: Sun, 10 May 2020 00:48:02 +0530 Full Article
two Punjab Police break another link in Pak-backed Hizbul Mujahideen narco-terror network By www.newkerala.com Published On :: Sun, 10 May 2020 07:09:02 +0530 Full Article
two Two UP migrant workers returning from Gujarat in trains die en route: Police By www.thehindu.com Published On :: Sat, 09 May 2020 23:51:20 +0530 Asked about the incidents, Additional Chief Secretary (Home) Awanish Awasthi said he that he is aware of them. Full Article Other States
two Congress picks two for MLC polls By www.thehindu.com Published On :: Sun, 10 May 2020 02:33:32 +0530 In a surprising turn of events on Saturday, the Congress announced two candidates for the May 21 Legislative Council polls, indicating that it is in n Full Article Other States
two The competition between dehydrogenation and dehydration reactions for primary and secondary alcohols over gallia: unravelling the effects of molecular and electronic structure via a two-pronged theoretical/experimental approach By feeds.rsc.org Published On :: Catal. Sci. Technol., 2020, Advance ArticleDOI: 10.1039/C9CY02603G, PaperLorella Izzo, Tommaso Tabanelli, Fabrizio Cavani, Paola Blair Vàsquez, Carlo Lucarelli, Massimo MellaThe relative dehydrogenation/dehydration reactivity imparted by nanostructured gallium(III) oxide on alcohols was investigated via electronic structure calculations, reactivity tests and DRIFT-IR spectroscopy.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
two After two heart attacks, 74-year-old Gujarat cancer patient slays Covid-19 By timesofindia.indiatimes.com Published On :: Sun, 10 May 2020 05:00:00 IST "If cancer could do me no harm, what can Covid do?" This was the confidence that 74-year-old Yusuf Hotelwala exuded while leaving for the Covid care centre in Vadodara after testing positive a week ago. On Saturday, Hotelwala, who suffers from peritoneal mesothelioma and has already survived two heart attacks was beaming as doctors confirmed his recovery. Full Article
two Bengaluru: Two Covid-19 positive women give birth to 3 babies By timesofindia.indiatimes.com Published On :: Sun, 10 May 2020 08:36:00 IST Two women, who tested positive for Covid-19 and residents of the containment zone in Padarayanapura, Bengaluru, gave birth to three babies on Saturday morning. A 20-year-old woman delivered twin babies at the Trauma Care Centre. On Friday, a 34-year-old woman gave birth to a girl. Both women underwent C-sections. Full Article
two COVID-19: Return of Bundesliga in fresh jeopardy as Dynamo Dresden confirms two new coronavirus cases ahead of restart By www.dnaindia.com Published On :: Sun, 10 May 2020 03:59:00 GMT The Bundesliga and Bundesliga 2 are set to be back underway on May 16. Full Article Sports
two Two members of White House virus task force in quarantine By indianexpress.com Published On :: Sun, 10 May 2020 04:42:18 +0000 Full Article World
two Random sampling finds two positive cases in two days in Panchkula By indianexpress.com Published On :: Sat, 09 May 2020 20:43:31 +0000 Full Article Chandigarh Cities
two Banned Umar Akmal refuses to divulge details of two meetings with suspected bookies: PCB sources By indianexpress.com Published On :: Sun, 10 May 2020 06:25:20 +0000 Full Article Cricket Sports
two Tomographic reconstruction with a generative adversarial network By scripts.iucr.org Published On :: 2020-02-18 This paper presents a deep learning algorithm for tomographic reconstruction (GANrec). The algorithm uses a generative adversarial network (GAN) to solve the inverse of the Radon transform directly. It works for independent sinograms without additional training steps. The GAN has been developed to fit the input sinogram with the model sinogram generated from the predicted reconstruction. Good quality reconstructions can be obtained during the minimization of the fitting errors. The reconstruction is a self-training procedure based on the physics model, instead of on training data. The algorithm showed significant improvements in the reconstruction accuracy, especially for missing-wedge tomography acquired at less than 180° rotational range. It was also validated by reconstructing a missing-wedge X-ray ptychographic tomography (PXCT) data set of a macroporous zeolite particle, for which only 51 projections over 70° could be collected. The GANrec recovered the 3D pore structure with reasonable quality for further analysis. This reconstruction concept can work universally for most of the ill-posed inverse problems if the forward model is well defined, such as phase retrieval of in-line phase-contrast imaging. Full Article text
two Two earthquakes felt by residents in Lochaber - Press and Journal By www.pressandjournal.co.uk Published On :: Thu, 14 Nov 2019 08:00:00 GMT Two earthquakes felt by residents in Lochaber Press and Journal Full Article
two Poly[[μ4-3,4,8,10,11,13-hexahydro-1H,6H-bis([1,4]dithiocino)[6,7-b:6',7'-e]pyrazine]di-μ-iodido-dicopper(I)]: a two-dimensional copper(I) coordination polymer By scripts.iucr.org Published On :: 2020-04-07 The reaction of ligand 3,4,8,10,11,13-hexahydro-1H,6H-bis([1,4]dithiocino)[6,7-b:6',7'-e]pyrazine (L) with CuI led to the formation of a two-dimensional coordination polymer, incorporating a [Cu2I2] motif. These units are linked via the four S atoms of the ligand to form the title two-dimensional coordination polymer, poly[[μ4-3,4,8,10,11,13-hexahydro-1H,6H-bis([1,4]dithiocino)[6,7-b:6',7'-e]pyrazine]di-μ-iodido-dicopper(I)], [Cu2I2(C12H16N2S4)]n, (I). The asymmetric unit is composed of a ligand molecule, two copper(I) atoms and two I− ions. Both copper(I) atoms are fourfold S2I2 coordinate with almost regular trigonal-pyramidal environments. In the crystal, the layers, lying parallel to (102), are linked by C—H⋯I hydrogen bonds, forming a supramolecular framework. Full Article text
two The crystal structure of (RS)-7-chloro-2-(2,5-dimethoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one: two hydrogen bonds generate an elegant three-dimensional framework structure By scripts.iucr.org Published On :: 2019-05-21 In the title compound, C61H15ClN2O3, the heterocyclic ring adopts an envelope conformation, folded across the N⋯N line, with the 2,5-dimethoxyphenyl unit occupying a quasi-axial site. There are two N—H⋯O hydrogen bonds in the structure: one hydrogen bond links molecules related by a 41 screw axis to form a C(6) chain, and the other links inversion-related pairs of molecules to form an R22(8) ring. The ring motif links all of the chains into a continuous three-dimensional framework structure. Comparisons are made with the structures of some related compounds. Full Article text
two Crystal structures of two bis-carbamoylmethylphosphine oxide (CMPO) compounds By scripts.iucr.org Published On :: 2019-06-14 Two bis-carbamoylmethylphosphine oxide compounds, namely {[(3-{[2-(diphenylphosphinoyl)ethanamido]methyl}benzyl)carbamoyl]methyl}diphenylphosphine oxide, C36H34N2O4P2, (I), and diethyl [({2-[2-(diethoxyphosphinoyl)ethanamido]ethyl}carbamoyl)methyl]phosphonate, C14H30N2O8P2, (II), were synthesized via nucleophilic acyl substitution reactions between an ester and a primary amine. Hydrogen-bonding interactions are present in both crystals, but these interactions are intramolecular in the case of compound (I) and intermolecular in compound (II). Intramolecular π–π stacking interactions are also present in the crystal of compound (I) with a centroid–centroid distance of 3.9479 (12) Å and a dihedral angle of 9.56 (12)°. Intermolecular C—H⋯π interactions [C⋯centroid distance of 3.622 (2) Å, C—H⋯centroid angle of 146°] give rise to supramolecular sheets that lie in the ab plane. Key geometric features for compound (I) involve a nearly planar, trans-amide group with a C—N—C—C torsion angle of 169.12 (17)°, and a torsion angle of −108.39 (15)° between the phosphine oxide phosphorus atom and the amide nitrogen atom. For compound (II), the electron density corresponding to the phosphoryl group was disordered, and was modeled as two parts with a 0.7387 (19):0.2613 (19) occupancy ratio. Compound (II) also boasts a trans-amide group that approaches planarity with a C—N—C—C torsion angle of −176.50 (16)°. The hydrogen bonds in this structure are intermolecular, with a D⋯A distance of 2.883 (2) Å and a D—H⋯A angle of 175.0 (18)° between the amide hydrogen atom and the P=O oxygen atom. These non-covalent interactions create ribbons that run along the b-axis direction. Full Article text
two Two isomers of [1-benzyl-4-(pyridin-2-yl-κN)-1H-1,2,3-triazole-κN3]dichloridobis(dimethyl sulfoxide-κS)ruthenium(II) By scripts.iucr.org Published On :: 2019-07-04 The structures of two isomers of the title compound, [RuCl2(C14H12N4)(C2H6OS)2], 2 and 3, are reported. Isomers 2 and 3 are produced by reaction of the pyridyltriazole ligand 1-benzyl-4-(pyridin-2-yl)-1H-1,2,3-triazole (bpt) (1) with fac-[RuCl2(DMSO-S)3(DMSO-O)]. Reaction in acetone produces ca 95% 2, which is the OC-6-14 isomer, with cis DMSO and trans chlorido ligands, and 5% 3 (the OC-6-32 isomer, with cis DMSO and cis chlorido ligands, and the pyridyl moiety of bpt trans to DMSO). Reaction in refluxing toluene initially forms 2, which slowly isomerizes to 3. Full Article text
two Synthesis, detailed geometric analysis and bond-valence method evaluation of the strength of π-arene bonding of two isotypic cationic prehnitene tin(II) complexes: [{1,2,3,4-(CH3)4C6H2}2Sn2Cl2][MCl4]2 (M = Al and Ga) By scripts.iucr.org Published On :: 2019-06-25 From solutions of prehnitene and the ternary halides (SnCl)[MCl4] (M = Al, Ga) in chlorobenzene, the new cationic SnII–π-arene complexes catena-poly[[chloridoaluminate(III)]-tri-μ-chlorido-4':1κ2Cl,1:2κ4Cl-[(η6-1,2,3,4-tetramethylbenzene)tin(II)]-di-μ-chlorido-2:3κ4Cl-[(η6-1,2,3,4-tetramethylbenzene)tin(II)]-di-μ-chlorido-3:4κ4Cl-[chloridoaluminate(III)]-μ-chlorido-4:1'κ2Cl], [Al2Sn2Cl10(C10H14)2]n, (1) and catena-poly[[chloridogallate(III)]-tri-μ-chlorido-4':1κ2Cl,1:2κ4Cl-[(η6-1,2,3,4-tetramethylbenzene)tin(II)]-di-μ-chlorido-2:3κ4Cl-[(η6-1,2,3,4-tetramethylbenzene)tin(II)]-di-μ-chlorido-3:4κ4Cl-[chloridogallate(III)]-μ-chlorido-4:1'κ2Cl], [Ga2Sn2Cl10(C10H14)2]n, (2), were isolated. In these first main-group metal–prehnitene complexes, the distorted η6 arene π-bonding to the tin atoms of the Sn2Cl22+ moieties in the centre of [{1,2,3,4-(CH3)4C6H2}2Sn2Cl2][MCl4]2 repeating units (site symmetry overline{1}) is characterized by: (i) a significant ring slippage of ca 0.4 Å indicated by the dispersion of Sn—C distances [1: 2.881 (2)–3.216 (2) Å; 2: 2.891 (3)–3.214 (3) Å]; (ii) the non-methyl-substituted arene C atoms positioned closest to the SnII central atom; (iii) a pronounced tilt of the plane of the arene ligand against the plane of the central (Sn2Cl2)2+ four-membered ring species [1: 15.59 (11)°, 2: 15.69 (9)°]; (iv) metal–arene bonding of medium strength as illustrated by application of the bond-valence method in an indirect manner, defining the π-arene bonding interaction of the SnII central atoms as s(SnII—arene) = 2 − Σs(SnII—Cl), that gives s(SnII—arene) = 0.37 and 0.38 valence units for the aluminate and the gallate, respectively, indicating that comparatively strong main-group metal–arene bonding is present and in line with the expectation that [AlCl4]− is the slightly weaker coordinating anion as compared to [GaCl4]−. Full Article text
two Two new glaserite-type orthovanadates: Rb2KDy(VO4)2 and Cs1.52K1.48Gd(VO4)2 By scripts.iucr.org Published On :: 2019-06-21 The crystal structures of dirubidium potassium dysprosium bis(vanadate), Rb2KDy(VO4)2, and caesium potassium gadolinium bis(vanadate), Cs1.52K1.48Gd(VO4)2, were solved from single-crystal X-ray diffraction data. Both compounds, synthesized by the reactive flux method, crystallize in the space group Poverline{3}m1 with the glaserite structure type. VO4 tetrahedra are linked to DyO6 or GdO6 octahedra by common vertices to form sheets stacking along the c axis. The large twelve-coordinate Cs+ or Rb+ cations are sandwiched between these layers in tunnels along the a and b axes, while the K+ cations, surrounded by ten oxygen atoms, are localized in cavities. Full Article text
two Crystal structure of two N'-(1-phenylbenzylidene)-2-(thiophen-3-yl)acetohydrazides By scripts.iucr.org Published On :: 2019-07-02 The synthesis, spectroscopic data, crystal and molecular structures of two N'-(1-phenylbenzylidene)-2-(thiophen-3-yl)acetohydrazides, namely N'-[1-(4-hydroxyphenyl)benzylidene]-2-(thiophen-3-yl)acetohydrazide, C13H10N2O2S, (3a), and N'-[1-(4-methoxyphenyl)benzylidene]-2-(thiophen-3-yl)acetohydrazide, C14H14N2O2S, (3b), are described. Both compounds differ in the substituent at the para position of the phenyl ring: –OH for (3a) and –OCH3 for (3b). In (3a), the thiophene ring is disordered over two orientations with occupancies of 0.762 (3) and 0.238 (3). The configuration about the C=N bond is E. The thiophene and phenyl rings are inclined by 84.0 (3) and 87.0 (9)° for the major- and minor-occupancy disorder components in (3a), and by 85.89 (12)° in (3b). Although these dihedral angles are similar, the conformation of the linker between the two rings is different [the C—C—C—N torsion angle is −ac for (3a) and −sc for (3b), while the C6—C7—N9—N10 torsion angle is +ap for (3a) and −sp for (3b)]. A common feature in the crystal packing of (3a) and (3b) is the presence of N—H⋯O hydrogen bonds, resulting in the formation of chains of molecules running along the b-axis direction in the case of (3a), or inversion dimers for (3b). The most prominent contributions to the surface contacts are those in which H atoms are involved, as confirmed by an analysis of the Hirshfeld surface. Full Article text
two Crystal structures of two CuII compounds: catena-poly[[chloridocopper(II)]-μ-N-[ethoxy(pyridin-2-yl)methylidene]-N'-[oxido(pyridin-3-yl)methylidene]hydrazine-κ4N,N',O:N''] and di-μ-chlorido-1:4κ2Cl:Cl-2:3κ2Cl:Cl-dichlorido-2κ By scripts.iucr.org Published On :: 2019-06-28 Two CuII complexes [Cu(C14H13N4O2)Cl]n, I, and [Cu4(C8H10NO2)4Cl4]n, II, have been synthesized. In the structure of the mononuclear complex I, each ligand is coordinated to two metal centers. The basal plane around the CuII cation is formed by one chloride anion, one oxygen atom, one imino and one pyridine nitrogen atom. The apical position of the distorted square-pyramidal geometry is occupied by a pyridine nitrogen atom from a neighbouring unit, leading to infinite one-dimensional polymeric chains along the b-axis direction. Each chain is connected to adjacent chains by intermolecular C—H⋯O and C—H⋯Cl interactions, leading to a three-dimensional network structure. The tetranuclear complex II lies about a crystallographic inversion centre and has one core in which two CuII metal centers are mutually interconnected via two enolato oxygen atoms while the other two CuII cations are linked by a chloride anion and an enolato oxygen. An open-cube structure is generated in which the two open-cube units, with seven vertices each, share a side composed of two CuII ions bridged by two enolato oxygen atoms acting in a μ3-mode. The CuII atoms in each of the two CuO3NCl units are connected by one μ2-O and two μ3-O atoms from deprotonated hydroxyl groups and one chloride anion to the three other CuII centres. Each of the pentacoordinated CuII cations has a distorted NO3Cl square-pyramidal environment. The CuII atoms in each of the two CuO2NCl2 units are connected by μ2-O and μ3-O atoms from deprotonated alcohol hydroxy groups and one chloride anion to two other CuII ions. Each of the pentacoordinated CuII cations has a distorted NO2Cl2 square-pyramidal environment. In the crystal, a series of intramolecular C—H⋯O and C—H⋯Cl hydrogen bonds are observed in each tetranuclear monomeric unit, which is connected to four tetranuclear monomeric units by intermolecular C—H⋯O hydrogen bonds, thus forming a planar two-dimensional structure in the (overline{1}01) plane. Full Article text
two Crystal structures of two new isocoumarin derivatives: 8-amino-6-methyl-3,4-diphenyl-1H-isochromen-1-one and 8-amino-3,4-diethyl-6-methyl-1H-isochromen-1-one By scripts.iucr.org Published On :: 2019-07-09 The title compounds, 8-amino-6-methyl-3,4-diphenyl-1H-isochromen-1-one, C22H17NO2, (I), and 8-amino-3,4-diethyl-6-methyl-1H-isochromen-1-one, C14H17NO2, (II), are new isocoumarin derivatives in which the isochromene ring systems are planar. Compound II crystallizes with two independent molecules (A and B) in the asymmetric unit. In I, the two phenyl rings are inclined to each other by 56.41 (7)° and to the mean plane of the 1H-isochromene ring system by 67.64 (6) and 44.92 (6)°. In both compounds, there is an intramolecular N—H⋯O hydrogen bond present forming an S(6) ring motif. In the crystal of I, molecules are linked by N—H⋯π interactions, forming chains along the b-axis direction. A C—H⋯π interaction links the chains to form layers parallel to (100). The layers are then linked by a second C—H⋯π interaction, forming a three-dimensional structure. In the crystal of II, the two independent molecules (A and B) are linked by N—H⋯O hydrogen bonds, forming –A–B–A–B– chains along the [101] direction. The chains are linked into ribbons by C—H⋯π interactions involving inversion-related A molecules. The latter are linked by offset π–π interactions [intercentroid distances vary from 3.506 (1) to 3.870 (2) Å], forming a three-dimensional structure. Full Article text
two Crystal structures and Hirshfeld surface analyses of the two isotypic compounds (E)-1-(4-bromophenyl)-2-[2,2-dichloro-1-(4-nitrophenyl)ethenyl]diazene and (E)-1-(4-chlorophenyl)-2-[2,2-dichloro-1-(4-ni By scripts.iucr.org Published On :: 2019-07-19 In the two isotypic title compounds, C14H8BrCl2N3O2, (I), and C14H8Cl3N3O2, (II), the substitution of one of the phenyl rings is different [Br for (I) and Cl for (II)]. Aromatic rings form dihedral angles of 60.9 (2) and 64.1 (2)°, respectively. Molecules are linked through weak X⋯Cl contacts [X = Br for (I) and Cl for (II)], C—H⋯Cl and C—Cl⋯π interactions into sheets parallel to the ab plane. Additional van der Waals interactions consolidate the three-dimensional packing. Hirshfeld surface analysis of the crystal structures indicates that the most important contributions for the crystal packing for (I) are from C⋯H/H⋯C (16.1%), O⋯H/H⋯O (13.1%), Cl⋯H/H⋯Cl (12.7%), H⋯H (11.4%), Br⋯H/H⋯Br (8.9%), N⋯H/H⋯N (6.9%) and Cl⋯C/C⋯Cl (6.6%) interactions, and for (II), from Cl⋯H / H⋯Cl (21.9%), C⋯H/H⋯C (15.3%), O⋯H/H⋯O (13.4%), H⋯H (11.5%), Cl⋯C/C⋯Cl (8.3%), N⋯H/H⋯N (7.0%) and Cl⋯Cl (5.9%) interactions. The crystal of (I) studied was refined as an inversion twin, the ratio of components being 0.9917 (12):0.0083 (12). Full Article text
two Crystal structures of two isomeric 2-aryl-3-phenyl-1,3-thiazepan-4-ones By scripts.iucr.org Published On :: 2019-07-26 The crystal of 6-(3-nitrophenyl)-7-phenyl-5-thia-7-azaspiro[2.6]nonan-8-one (1), C19H18N2O3S, has monoclinic (P21/n) symmetry while that of its isomer 6-(4-nitrophenyl)-7-phenyl-5-thia-7-azaspiro[2.6]nonan-8-one (2), has orthorhombic (Pca21) symmetry: compound 1 has two molecules, A and B, in the asymmetric unit while 2 has one. In all three molecules, the seven-membered thiazepan ring exhibits a chair conformation with Q2 and Q3 values (Å) of 0.521 (3), 0.735 (3) and 0.485 (3), 0.749 (3) in 1 and 0.517 (5), 0.699 (5) in 2. In each structure, the phenyl rings attached to adjacent atoms of the thiazepan ring have interplanar angles ranging between 41 and 47°. Except for the nitro groups, the three molecules have similar conformations when overlayed in pairs. Both crystal structures are consolidated by C—H⋯O hydrogen bonds. Full Article text