propane Asymmetric [3 + 2] cycloaddition of donor–acceptor cyclopropanes with azadienes enabled by Brønsted base catalysis By pubs.rsc.org Published On :: Org. Chem. Front., 2024, Advance ArticleDOI: 10.1039/D4QO00002A, Research ArticleShu Li, Zhi-Hong Dong, Si-Yu Dan, Mei-Jun Zheng, Teng Long, Jie Zhan, Qing Zhou, Wen-Dao Chu, Quan-Zhong LiuA chiral bifunctional Brønsted base-catalyzed enantioselective [3 + 2] cycloaddition of D–A cyclopropanes and azadienes is reported. The protocol features broad substrate scope, mild reaction conditions and high functional group tolerance.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
propane Palladium-catalyzed and ligand-controlled divergent cycloadditions of vinylidenecyclopropane-diesters with para-quinone methides enabled by zwitterionic π-propargyl palladium species By pubs.rsc.org Published On :: Org. Chem. Front., 2024, Advance ArticleDOI: 10.1039/D4QO00368C, Research ArticleJia-Hao Shen, Yong-Jie Long, Min Shi, Yin WeiA palladium-catalyzed and ligand-controlled divergent synthesis of spiro-cyclohexadienones from p-quinone methides and VDCP-diesters was realized via zwitterionic π-propargyl palladium species and the mechanism was clarified by DFT calculations.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
propane Photocatalytic 1,3-Oxyheteroarylation of Aryl Cyclopropanes with Azine N-oxides By pubs.rsc.org Published On :: Chem. Sci., 2024, Accepted ManuscriptDOI: 10.1039/D4SC06723A, Edge Article Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Doyoung Kim, Hyewon Ju, Wooseok Lee, Sungwoo HongCyclopropanes, valuable C3 building blocks in organic synthesis, possess high strain energy and inherent stability. We present an efficient, environmentally benign 1,3-oxyheteroarylation of aryl cyclopropanes using azine N-oxides as bifunctional...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
propane Food truck safety resources spotlight propane hazards By www.safetyandhealthmagazine.com Published On :: Wed, 22 May 2019 00:00:00 -0400 Richmond, British Columbia — WorkSafeBC has published a safety bulletin and blog post intended to help food truck owners and workers avoid hazards associated with propane tanks. Full Article
propane Carbon dioxide chiller provides ample cold for dairy and replaces propane heat for hot water By www.foodengineeringmag.com Published On :: Wed, 23 Feb 2022 15:00:00 -0500 With this carbon dioxide chiller installed at a dairy, not only does it cool the milk better, it also provides heat for washing equipment. Full Article
propane Crystal structure of propane-1,3-diaminium squarate dihydrate By journals.iucr.org Published On :: 2024-08-30 Propane-1,3-diaminium squarate dihydrate, C3H12N22+·C4O42−·2H2O, results from the proton-transfer reaction of propane-1,3-diamine with squaric acid and subsequent crystallization from aqueous medium. The title compound crystallizes in the tetragonal crystal system (space group P4bm) with Z = 2. The squarate dianion belongs to the point group D4h and contains a crystallographic fourfold axis. The propane-1,3-diaminium dication exhibits a C2v-symmetric all-anti conformation and resides on a special position with mm2 site symmetry. The orientation of the propane-1,3-diaminium ions makes the crystal structure polar in the c-axis direction. The solid-state supramolecular structure features a triperiodic network of strong hydrogen bonds of the N—H⋯O and O—H⋯O types. Full Article text
propane Propane and solar energy: How using both can improve sustainability and comfort By www.pmmag.com Published On :: Fri, 11 Mar 2022 03:00:00 -0500 Hybrid systems that run on propane and solar can be tailored to a project’s unique needs, providing lower first costs and reduced ongoing energy costs and emissions. Full Article
propane Meet commercial water heating needs with efficient, reliable propane systems By www.pmmag.com Published On :: Wed, 14 Jul 2021 00:00:00 -0400 The demand for energy-efficient commercial appliances continues to grow — especially as government initiatives continue to promote the use of energy-efficient solutions. Full Article
propane Propane Council Launches New Site By www.achrnews.com Published On :: Wed, 20 Mar 2019 00:00:00 -0400 The Propane Education & Research Council (PERC) relaunched its website, propane.com. Full Article
propane Historic Inn Wins Efficiency Award From Propane Council By www.achrnews.com Published On :: Wed, 20 Sep 2023 08:15:00 -0400 Propane use at Ruby’s Inn has helped eliminate 5,200 metric tons of CO2 equivalent. This is equal to the greenhouse gas emissions from 1,410 gasoline-powered passenger vehicles driven for one year. Full Article
propane Propane Can Offer HVAC Customers A Reliable Option for Backup Power By www.achrnews.com Published On :: Sun, 03 Oct 2021 11:00:00 -0400 The growing electricity demands being placed on the country’s century-old grid are resulting in an increased number of unexpected power outages across the U.S. Full Article
propane 15 Best Gas Grills Under 300 2024 – Propane Grills For Every Budget By www.star2.org Published On :: Mon, 19 Dec 2022 17:36:40 +0000 Nowadays, gas barbecues have supplanted standard charcoal flame broils in numerous family units. And happiness is when you find the Best gas grills under 300. The post 15 Best Gas Grills Under 300 2024 – Propane Grills For Every Budget appeared first on Star Two. Full Article Food Home & Kitchen Outdoor Gas Grills Kitchen Outdoors Under 300
propane Residential propane price increases By Published On :: Thu, 4 Jan 2024 13:00:00 EST The average retail price for propane is $2.48 per gallon, up 1.1 cents from last week's price, but down 21.4 cents from a year ago, based on the residential heating fuel survey by the U.S. Energy Information Administration. Propane prices in the Midwest region averaged $2.00 per gallon, up 1 cent from last week, but down 28.8 cents from a year ago. Full Article
propane Residential propane price increases By Published On :: Wed, 10 Jan 2024 13:00:00 EST The average retail price for propane is $2.50 per gallon, up 2 cents from last week's price, but down 19.6 cents from a year ago, based on the residential heating fuel survey by the U.S. Energy Information Administration. Propane prices in the Midwest region averaged $2.02 per gallon, up 1.4 cents from last week, but down 27.3 cents from a year ago. Full Article
propane Residential propane price increases By Published On :: Thu, 18 Jan 2024 13:00:00 EST The average retail price for propane is $2.54 per gallon, up 4.2 cents from last week's price, but down 15.6 cents from a year ago, based on the residential heating fuel survey by the U.S. Energy Information Administration. Propane prices in the Midwest region averaged $2.06 per gallon, up 4 cents from last week, but down 23.5 cents from a year ago. Full Article
propane Residential propane price increases By Published On :: Wed, 24 Jan 2024 13:00:00 EST The average retail price for propane is $2.57 per gallon, up 3 cents from last week's price, but down 13.4 cents from a year ago, based on the residential heating fuel survey by the U.S. Energy Information Administration. Propane prices in the Midwest region averaged $2.10 per gallon, up 3.9 cents from last week, but down 20.4 cents from a year ago. Full Article
propane Residential propane price increases By Published On :: Wed, 31 Jan 2024 13:00:00 EST The average retail price for propane is $2.59 per gallon, up 1.6 cents from last week's price, but down 12.3 cents from a year ago, based on the residential heating fuel survey by the U.S. Energy Information Administration. Propane prices in the Midwest region averaged $2.10 per gallon, up 1 cents from last week, but down 19.7 cents from a year ago. Full Article
propane Residential propane price increases By Published On :: Wed, 7 Feb 2024 13:00:00 EST The average retail price for propane is $2.60 per gallon, up 1.6 cents from last week's price, but down 10.7 cents from a year ago, based on the residential heating fuel survey by the U.S. Energy Information Administration. Propane prices in the Midwest region averaged $2.11 per gallon, up 7-tenths of a cent from last week, but down 18.7 cents from a year ago. Full Article
propane Residential propane price increases By Published On :: Wed, 14 Feb 2024 13:00:00 EST The average retail price for propane is $2.61 per gallon, up 1 cent from last week's price, but down 9.5 cents from a year ago, based on the residential heating fuel survey by the U.S. Energy Information Administration. Propane prices in the Midwest region averaged $2.12 per gallon, up 3-tenths of a cent from last week, but down 18 cents from a year ago. Full Article
propane Residential propane price increases By Published On :: Thu, 22 Feb 2024 13:00:00 EST The average retail price for propane is $2.62 per gallon, up 6-tenths of a cent from last week's price, but down 8.6 cents from a year ago, based on the residential heating fuel survey by the U.S. Energy Information Administration. Propane prices in the Midwest region averaged $2.12 per gallon, unchanged from last week, but down 17.3 cents from a year ago. Full Article
propane Residential propane price increases By Published On :: Wed, 28 Feb 2024 13:00:00 EST The average retail price for propane is $2.61 per gallon, down 6-tenths of a cent from last week's price, and down 8.6 cents from a year ago, based on the residential heating fuel survey by the U.S. Energy Information Administration. Propane prices in the Midwest region averaged $2.12 per gallon, down 2-tenths of a cent from last week, and down 16.9 cents from a year ago. Full Article
propane Residential propane price decreases By Published On :: Wed, 6 Mar 2024 13:00:00 EST The average retail price for propane is $2.60 per gallon, down 1.4 cents from last week's price, and down 9.9 cents from a year ago, based on the residential heating fuel survey by the U.S. Energy Information Administration. Propane prices in the Midwest region averaged $2.11 per gallon, down 1.1 cents from last week, and down 17.7 cents from a year ago. Full Article
propane Residential propane price decreases By Published On :: Wed, 13 Mar 2024 13:00:00 EST The average retail price for propane is $2.59 per gallon, down 6-tenths of a cent from last week's price, and down 10.1 cents from a year ago, based on the residential heating fuel survey by the U.S. Energy Information Administration. Propane prices in the Midwest region averaged $2.10 per gallon, down 5-tenths of a cent from last week, and down 17.7 cents from a year ago. Full Article
propane Residential propane price decreases By Published On :: Wed, 20 Mar 2024 13:00:00 EST The average retail price for propane is $2.58 per gallon, down 1.4 cents from last week's price, and down 10.2 cents from a year ago, based on the residential heating fuel survey by the U.S. Energy Information Administration. Propane prices in the Midwest region averaged $2.09 per gallon, down 1.5 cents from last week, and down 18.1 cents from a year ago. Full Article
propane Residential propane price decreases By Published On :: Wed, 27 Mar 2024 13:00:00 EST The average retail price for propane is $2.58 per gallon, down 4-tenths of a cent from last week's price, and down 9.5 cents from a year ago, based on the residential heating fuel survey by the U.S. Energy Information Administration. Propane prices in the Midwest region averaged $2.09 per gallon, down 6-tenths of a cent from last week, and down 18.3 cents from a year ago. . Full Article
propane Residential propane price decreases By Published On :: Wed, 17 Apr 2024 13:00:00 EST The average retail price for propane on April 8th was $2.57 per gallon. That's down 9-tenths of a cent from the last week in March, based on the residential heating fuel survey by the U.S. Energy Information Administration. Propane prices in the Midwest region were $2.07 per gallon, down 1.5 cents from March 25. Propane prices will be published monthly from April to September. Full Article
propane Residential propane price decreases By Published On :: Wed, 22 May 2024 13:00:00 EST The average retail price for propane on May 13 was $2.48 per gallon. That's down 9.2 cents from the last published price on April 8, based on the residential heating fuel survey by the U.S. Energy Information Administration. Propane prices in the Midwest region were $1.99 per gallon, down 7.9 cents from April 8. Propane prices will be published monthly from April to September. Full Article
propane Residential propane price decreases By Published On :: Thu, 20 Jun 2024 13:00:00 EST The average retail price for propane on June 10 was $2.41 per gallon. That's down 6.3 cents from the last published price on May 13, based on the residential heating fuel survey by the U.S. Energy Information Administration. Propane prices in the Midwest region were $1.91 per gallon, down 8.2 cents from May 13. Propane prices will be published monthly from April to September. Full Article
propane Residential propane price decreases By Published On :: Wed, 17 Jul 2024 13:00:00 EST The average retail price for propane on July 8 was $2.39 per gallon. That's down 1.8 cents from the last published price on June 10, based on the residential heating fuel survey by the U.S. Energy Information Administration. Propane prices in the Midwest region were $1.88 per gallon, down 2.6 cents from June 10. Propane prices will be published monthly from April to September. Full Article
propane Residential propane price decreases By Published On :: Wed, 21 Aug 2024 13:00:00 EST The average retail price for propane on August 12 was $2.37 per gallon. That's down 2.3 cents from the last published price on July 8, based on the residential heating fuel survey by the U.S. Energy Information Administration. Propane prices in the Midwest region were $1.86 per gallon, down 2.4 cents from July 8. Propane prices will be published monthly from April to September. Full Article
propane Residential propane price decreases slightly By Published On :: Wed, 18 Sep 2024 13:00:00 EST The average retail price for propane on September 9 was $2.37 per gallon. That's down 0.2 cents from the last published price on August 12, based on the residential heating fuel survey by the U.S. Energy Information Administration. Propane prices in the Midwest region were $1.86 per gallon, up 0.3 cents from August 12. Propane prices will be published monthly from April to September. Full Article
propane Residential propane price increases By Published On :: Wed, 9 Oct 2024 13:00:00 EST The average retail price for propane is $2.41 per gallon, up 3.8 cents from last week's price, and up 1.7 cents from a year ago, based on the residential heating fuel survey by the U.S. Energy Information Administration. Propane prices in the Midwest region averaged $1.91 per gallon, up 5.1 cents from last week, and up 1.5 cents from a year ago. Starting this week, propane prices will be published weekly through March. Full Article
propane Residential propane price increases By Published On :: Thu, 17 Oct 2024 13:00:00 EST The average retail price for propane is $2.42 per gallon, up 1.4 cents from last week's price, and up 2.8 cents from a year ago, based on the residential heating fuel survey by the U.S. Energy Information Administration. Propane prices in the Midwest region averaged $1.92 per gallon, up 1.8 cents from last week, and up 1.4 cents from a year ago. Full Article
propane Residential propane price increases slightly By Published On :: Wed, 23 Oct 2024 13:00:00 EST The average retail price for propane is $2.42 per gallon, up 4-tenths of a cent from last week's price, and up 3 cents from a year ago, based on the residential heating fuel survey by the U.S. Energy Information Administration. Propane prices in the Midwest region averaged $1.93 per gallon, up 1-tenth of a cent from last week, and up 6-tenths of a cent from a year ago. Full Article
propane Residential propane price increases slightly By Published On :: Wed, 30 Oct 2024 13:00:00 EST The average retail price for propane is $2.43 per gallon, up 6-tenths of a cent from last week's price, and up 2.6 cents from a year ago, based on the residential heating fuel survey by the U.S. Energy Information Administration. Propane prices in the Midwest region averaged $1.93 per gallon, up 4-tenths of a cent from last week, and up 1-tenth of a cent from a year ago. Full Article
propane Residential propane price increases slightly By Published On :: Wed, 6 Nov 2024 13:00:00 EST The average retail price for propane is $2.43 per gallon, up 2.7 cents from last week's price, and up 4.8 cents from a year ago, based on the residential heating fuel survey by the U.S. Energy Information Administration. Propane prices in the Midwest region averaged $1.96 per gallon, up 2 cents from last week, and up 1.8 cents from a year ago. Full Article
propane Speciation and dipole reorientation dynamics of glass-forming liquid electrolytes: Li[N(SO2CF3)2] mixtures of 1,3-propane sultone or tetrahydrothiophene-1,1-dioxide By pubs.rsc.org Published On :: Faraday Discuss., 2024, 253,42-54DOI: 10.1039/D4FD00050A, PaperYasuhiro Umebayashi, Erika Otani, Hikari Watanabe, Jihae HanLi[(CF3SO2)2N] mixtures with propane sultone or sulfolane, newly termed as glass-forming liquid electrolytes, exhibited large-size aggregate (AGG) formation via speciation and dipole reorientation. The AGGs may be crucial for the unique Li+ conduction.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
propane Propane dehydrogenation on an extra-framework and framework-embedded metal site within ZSM-5 zeolite from first-principles microkinetic simulations By pubs.rsc.org Published On :: React. Chem. Eng., 2024, 9,2892-2901DOI: 10.1039/D4RE00269E, PaperYujue Du, Wende Hu, Yunlei Chen, Chuanming Wang, Weimin YangThe Lewis acid sites in ZSM-5 zeolite involving Co, Ni, and Cu cations were computationally studied on the stability and the PDH catalytic activity.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
propane Rapid lung ventilation MRI using parahydrogen-induced polarization of propane gas By pubs.rsc.org Published On :: Analyst, 2024, Advance ArticleDOI: 10.1039/D4AN01029A, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Md Raduanul H. Chowdhury, Clementinah Oladun, Nuwandi M. Ariyasingha, Anna Samoilenko, Tarek Bawardi, Dudari B. Burueva, Oleg G. Salnikov, Larisa M. Kovtunova, Valerii I. Bukhtiyarov, Zhongjie Shi, Kehuan Luo, Sidhartha Tan, Juri G. Gelovani, Igor V. Koptyug, Boyd M. Goodson, Eduard Y. ChekmenevThe feasibility of ultrafast (1.7 s) ventilation MRI with a 1 × 1 × 50 mm3 voxel size is demonstrated using hyperpolarized propane gas contrast agent in excised rabbit lungs on a 0.35 T clinical MRI scanner without any scanner modification.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
propane Synthesis of Aryl Fluorocyclopropanes from Aryl Fluorodiazirines and Alkenes in Continuous Flow By pubs.rsc.org Published On :: Chem. Commun., 2024, Accepted ManuscriptDOI: 10.1039/D4CC01881H, CommunicationHoang-Minh To, Shima Mirakhorli, Thierry OllevierPhotochemically induced generation of aryl fluorocarbene from arylfluorodiazirines and their subsequent [2 + 1] cycloaddition with alkenes was developed in continuous flow. The in situ generated electrophilic aryl fluorocarbene reacted...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
propane Design, synthesis and application of bipyridine-N,N'-dioxide catalysts in asymmetric synthesis of chiral cyclopropanes By pubs.rsc.org Published On :: Org. Chem. Front., 2024, 11,6470-6476DOI: 10.1039/D4QO01532K, Research ArticleXiaoying Cao, Xue Tian, Minmin Liu, Shi-Wu LiA novel type of highly efficient chiral C2-symmetric bipyridine-N,N'-dioxide ligands was prepared and successfully applied in the synthesis of optically pure 1,2,3-trisubstituted cyclopropanes.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
propane Activation of donor–acceptor cyclopropanes under basic conditions: ring opening of 2-(p-siloxyaryl)cyclopropane 1,1-dicarboxylates with nitro compounds and other C-nucleophiles By pubs.rsc.org Published On :: Org. Chem. Front., 2024, 11,6483-6494DOI: 10.1039/D4QO01472C, Research ArticleYulia A. Antonova, Andrey A. TabolinA new activation mode for donor–acceptor cyclopropanes was proposed and implemented in their reaction with nitro compounds and other common C-nucleophiles.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
propane Recent developments in the ring-opening transformations of gem-difluorocyclopropanes By pubs.rsc.org Published On :: Org. Chem. Front., 2024, 11,6518-6533DOI: 10.1039/D4QO01583E, Review ArticleLeiyang Lv, Junqi Su, Zhiping LiThis review summarizes the advances of gem-F2CPs as fluoroallylic synthons in transition metal-catalysed ring-opening/cross-coupling reactions via single, double or no C-F bond cleavage on the last two years.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
propane Rh-Catalysed Hydroacyloxylation of Cyclopropenes: Regio- and Diastereoselective Synthesis of Acyloxycyclopropanes By pubs.rsc.org Published On :: Org. Chem. Front., 2024, Accepted ManuscriptDOI: 10.1039/D4QO01810A, Research ArticleÁngel Manu Martínez, Gema Domínguez, Ines Alonso, Marta Palaín, Javier Perez-CastellsCyclopropyl carboxylates are essential building blocks in biological and medicinal chemistry. However, their accessibility is severely limited by the need to pre-synthesise highly reactive cyclopropane derivatives. Herein, we report an...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
propane From microkinetic model to process: understanding the role of the boron nitride surface and gas phase chemistry in the oxidative dehydrogenation of propane By pubs.rsc.org Published On :: React. Chem. Eng., 2024, 9,795-802DOI: 10.1039/D3RE00600J, PaperUnni Kurumbail, William P. McDermott, Edgard A. Lebrón-Rodríguez, Ive HermansIn the oxidative dehydrogenation of propane over boron nitride, propylene selectivity is lost due to unselective gas-phase chemistry.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
propane A green and sustainable multi-enzyme cascade for the biosynthesis of 1,3-propanediamine from crude glycerol in vitro By pubs.rsc.org Published On :: Green Chem., 2024, Advance ArticleDOI: 10.1039/D4GC03777D, PaperDaocheng Liao, Shiming Tang, Ying Lin, Suiping ZhengThis paper designs a novel multi-enzyme cascade reaction capable of efficiently synthesizing 1,3-propanediamine from glycerol in vitro.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
propane Syntheses and crystal structures of 2-methyl-1,1,2,3,3-pentaphenyl-2-silapropane and 2-methyl-1,1,3,3-tetraphenyl-2-silapropan-2-ol By scripts.iucr.org Published On :: 2019-08-23 The sterically hindered silicon compound 2-methyl-1,1,2,3,3-pentaphenyl-2-silapropane, C33H30Si (I), was prepared via the reaction of two equivalents of diphenylmethyllithium (benzhydryllithium) and dichloromethylphenylsilane. This bisbenzhydryl-substituted silicon compound was then reacted with trifluoromethanesulfonic acid, followed by hydrolysis with water to give the silanol 2-methyl-1,1,3,3-tetraphenyl-2-silapropan-2-ol, C27H26OSi (II). Key geometric features for I are the Si—C bond lengths that range from 1.867 (2) to 1.914 (2) Å and a τ4 descriptor for fourfold coordination around the Si atom of 0.97 (indicating a nearly perfect tetrahedron). Key geometric features for compound II include Si—C bond lengths that range from 1.835 (4) to 1.905 (3) Å, a Si—O bond length of 1.665 (3) Å, and a τ4 descriptor for fourfold coordination around the Si atom of 0.96. In compound II, there is an intramolecular C—H⋯O hydrogen bond present. In the crystal of I, molecules are linked by two pairs of C—H⋯π interactions, forming dimers that are linked into ribbons propagating along the b-axis direction. In the crystal of II, molecules are linked by C—H⋯π and O—H⋯π interactions that result in the formation of ribbons that run along the a-axis direction. Full Article text
propane The structure and Hirshfeld surface analysis of the salt 3-methacrylamido-N,N,N-trimethylpropan-1-aminium 2-acrylamido-2-methylpropane-1-sulfonate By scripts.iucr.org Published On :: 2019-09-10 The title salt, C10H21N2O+·C7H12NO4S−, comprises a 3-methacrylamido-N,N,N-trimethylpropan-1-aminium cation and a 2-acrylamido-2-methylpropane-1-sulfonate anion. The salt crystallizes with two unique cation–anion pairs in the asymmetric unit of the orthorhombic unit cell. The crystal studied was an inversion twin with a 0.52 (4):0.48 (4) domain ratio. In the crystal, the cations and anions stack along the b-axis direction and are linked by an extensive series of N—H⋯O and C—H⋯O hydrogen bonds, forming a three-dimensional network. Hirshfeld surface analysis was carried out on both the asymmetric unit and the two individual salts. The contribution of interatomic contacts to the surfaces of the individual cations and anions are also compared. Full Article text
propane Crystal structure, Hirshfeld surface analysis and DFT studies of 1,3-bis[2-methoxy-4-(prop-2-en-1-yl)phenoxy]propane By scripts.iucr.org Published On :: 2020-02-14 The asymmetric unit of the title compound, C23H28O4, comprises two half-molecules, with the other half of each molecule being completed by the application of twofold rotation symmetry. The two completed molecules both have a V-shaped appearance but differ in their conformations. In the crystal, each independent molecule forms chains extending parallel to the b axis with its symmetry-related counterparts through C—H⋯π(ring) interactions. Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (65.4%), H⋯C/C⋯H (21.8%) and H⋯O/O⋯H (12.3%) interactions. Optimized structures using density functional theory (DFT) at the B3LYP/6–311 G(d,p) level are compared with the experimentally determined molecular structures in the solid state. The HOMO–LUMO behaviour was elucidated to determine the energy gap. Full Article text
propane Hydrogen-bonding patterns in 2,2-bis(4-methylphenyl)hexafluoropropane pyridinium and ethylenediammonium salt crystals By scripts.iucr.org Published On :: 2020-04-24 The crystal structures of two salt crystals of 2,2-bis(4-methylphenyl)hexafluoropropane (Bmphfp) with amines, namely, dipyridinium 4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)dibenzoate 4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)dibenzoic acid, 2C5H6N+·C17H8F6O42−·C17H10F6O4, (1), and a monohydrated ethylenediammonium salt ethane-1,2-diaminium 4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)dibenzoate monohydrate, C2H10N22+·C17H8F6O42−·H2O, (2), are reported. Compounds 1 and 2 crystallize, respectively, in space group P21/c with Z' = 2 and in space group Pbca with Z' = 1. The crystals of compound 1 contain neutral and anionic Bmphfp molecules, and form a one-dimensional hydrogen-bonded chain motif. The crystals of compound 2 contain anionic Bmphfp molecules, which form a complex three-dimensional hydrogen-bonded network with the ethylenediamine and water molecules. Full Article text