Acta crystallographica. Section C, Crystal structure communications最新文献

{"title":"Building a two-dimensional network from mixed-valence copper units held together by acetone bridges.","authors":"Oleksandr Hietsoi,&nbsp;Alexander S Filatov,&nbsp;Marina A Petrukhina","doi":"10.1107/S0108270113025559","DOIUrl":"https://doi.org/10.1107/S0108270113025559","url":null,"abstract":"<p><p>The mixed-valence supramolecular product di-μ2-acetone-di-μ3-trifluoroacetato-deca-μ2-trifluoroacetato-octacopper(I)dicopper(II), [Cu10(C2F3O2)12(C3H6O)2] or {[Cu(I)4(O2CCF3)4]2-{μ2-OC(CH3)2}2-[Cu(II)2(O2CCF3)4]}, was prepared by co-deposition of two building units, namely a bis-acetone adduct of [Cu(II)2(O2CCF3)4] and a very electrophilic tetranuclear [Cu(I)4(O2CCF3)4] complex. The asymmetric unit contains one molecule of the compound with a total of ten independent Cu atoms. Acetone molecules serve as bridges between the [Cu(II)2(O2CCF3)4] and [Cu(I)4(O2CCF3)4] units. Additionally, the tetracopper(I) trifluoroacetate units are involved in intermolecular Cu···O interactions, forming a layered two-dimensional network in the extended structure.</p>","PeriodicalId":7368,"journal":{"name":"Acta crystallographica. Section C, Crystal structure communications","volume":"69 Pt 12","pages":"1416-20"},"PeriodicalIF":0.8,"publicationDate":"2013-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S0108270113025559","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"31932169","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Intermolecular C-H···O, Cl···Cl and π-π interactions in the 2-dichloromethyl derivative of vitamin K3.","authors":"Raffaella Soave,&nbsp;Pietro Colombo","doi":"10.1107/S010827011303196X","DOIUrl":"https://doi.org/10.1107/S010827011303196X","url":null,"abstract":"The title 1,4-naphthoquinone, 2-dichloromethyl-3-methyl-1,4-dihydronaphthalene-1,4-dione, C12H8Cl2O2, is a chlorinated derivative of vitamin K3, which is a synthetic compound also known as menadione. Molecules of (I) are planar and lie on a crystallographic mirror plane (Z' = 0.5) in the space group Pnma. They are connected to each other by C-H···O hydrogen bonds, forming two-dimensional layers parallel to the ac plane. In addition, Cl···Cl and π-π interactions link adjacent molecules in different layers, thus forming zigzag ribbons along the b axis, such that a three-dimensional architecture is generated.","PeriodicalId":7368,"journal":{"name":"Acta crystallographica. Section C, Crystal structure communications","volume":"69 Pt 12","pages":"1563-6"},"PeriodicalIF":0.8,"publicationDate":"2013-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S010827011303196X","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"31932553","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"4,4'-{Diazenediylbis[(1,4-phenylene)bis(carbonyloxy)]}bis(2,2,6,6-tetramethylpiperidinyloxidanyl): the first crystal structure determination from powder data of a nitroxide radical.","authors":"Sándor L Bekö,&nbsp;Silke D Thoms,&nbsp;Martin U Schmidt","doi":"10.1107/S0108270113029211","DOIUrl":"https://doi.org/10.1107/S0108270113029211","url":null,"abstract":"<p><p>The title compound, C32H42N4O6, is a novel nitroxide radical used for pulsed electron-electron double resonance (PELDOR) spectroscopy. Its crystal structure was determined from laboratory X-ray powder diffraction data. The attractive forces between the molecules in the crystal structure are mainly of dispersive nature. A special interaction of the nitroxide radicals was not observed. </p>","PeriodicalId":7368,"journal":{"name":"Acta crystallographica. Section C, Crystal structure communications","volume":"69 Pt 12","pages":"1513-5"},"PeriodicalIF":0.8,"publicationDate":"2013-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S0108270113029211","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"31930942","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Transannular S···N interactions in 10-ethynyl-10H-phenothiazine 5-oxide and 5,5-dioxide.","authors":"Satoru Umezono,&nbsp;Satoshi Ikeda,&nbsp;Tsunehisa Okuno","doi":"10.1107/S0108270113031661","DOIUrl":"https://doi.org/10.1107/S0108270113031661","url":null,"abstract":"<p><p>The title compounds, C14H9NOS, (1), and C14H9NO2S, (2), are oxidation products of the parent compound 10-ethynyl-10H-phenothiazine. They differ with respect to transannular interactions, the intramolecular S···N contact being shorter in (2). Intermolecular Csp-H···O hydrogen bonds were detected in both crystals, and (1) was found to form stronger hydrogen bonds. These results are in agreement with the lower acidity of Csp-H in (2), caused by an increase in π-electron density due to the transannular S···N interaction.</p>","PeriodicalId":7368,"journal":{"name":"Acta crystallographica. Section C, Crystal structure communications","volume":"69 Pt 12","pages":"1553-6"},"PeriodicalIF":0.8,"publicationDate":"2013-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S0108270113031661","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"31932551","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Two-dimensional hydrogen-bonded supramolecular networks in the compounds of benzene-1,2,4,5-tetracarboxylic acid (pyromellitic acid) with 2,2'-biimidazole and 4,4'-dimethyl-2,2'-bipyridine.","authors":"Kai-Long Zhong","doi":"10.1107/S0108270113030801","DOIUrl":"https://doi.org/10.1107/S0108270113030801","url":null,"abstract":"<p><p>Two products from the proton-transfer reactions of benzene-1,2,4,5-tetracarboxylic acid (pyromellitic acid, PMA) with 2,2'-biimidazole and 4,4'-dimethyl-2,2'-bipyridine, namely 2,2'-biimidazole-3,3'-diium 2,5-dicarboxybenzene-1,4-dicarboxylate, C6H8N4(2+),C10H4O8(2-), (I), and 4-methyl-2-(4-methylpyridin-2-yl)pyridinium 2,4,5-tricarboxybenzoate monohydrate, C12H13N2(+)·C10H5O8(-)·H2O, (II), have been prepared and their structures determined. Both compounds crystallize in the space group P1. The asymmetric unit of (I) is composed of two independent ion pairs. Both the 2,2'-biimidazole-3,3'-diium dication and the PMA(2-) anion are located on special positions (inversion centres). The protonated 2,2'-biimidazole-3,3'-diium ring H atoms are involved in hydrogen bonding with carboxylate O atoms to form one-dimensional hydrogen-bonded chain structures. Adjacent chains are further linked via carboxyl-carboxyl O-H···O hydrogen bonding, resulting in a two-dimensional supramolecular sheet with the R6(5)(34) motif extending in the (1-21) plane. In (II), classical O-H···O hydrogen-bond-linked anion-anion units are extended into a one-dimensional chain running parallel to the [100] direction, giving an R2(2)(8)R4(4)(30) motif. The chains are connected by water-carboxyl O-H···O hydrogen bonds to form a two-dimensional network parallel to the (011) plane. The 4-methyl-2-(4-methylpyridin-2-yl)pyridinium cations lie between the two-dimensional supramolecular layers linked via N-H···O hydrogen-bonding interactions.</p>","PeriodicalId":7368,"journal":{"name":"Acta crystallographica. Section C, Crystal structure communications","volume":"69 Pt 12","pages":"1537-40"},"PeriodicalIF":0.8,"publicationDate":"2013-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S0108270113030801","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"31930947","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A three-dimensional chiral crystal structure constructed from a chiral triazolate ligand showing an SrSi2 topology: poly[bis(μ3-3,5-diethyl-1,2,4-triazolato-κ(3)N(1):N(2):N(4))trisilver nitrate].","authors":"Feng Jiang,&nbsp;Lin Dai,&nbsp;Yiqiang Shi,&nbsp;Zhixiang Wang","doi":"10.1107/S0108270113029788","DOIUrl":"https://doi.org/10.1107/S0108270113029788","url":null,"abstract":"<p><p>In the title metal-organic framework (MOF), {[Ag3(C6H10N3)2]NO3}n, the Ag(I) cation is coordinated by two N atoms from two different 3,5-diethyl-1,2,4-triazolate (detz) ligands in a linear configuration. Each Ag(I) cation is then connected to two adjacent Ag(I) cations via a μ3-N(1):N(2):N(4)-detrz ligand, resulting in a three-dimensional chiral silver-triazolate structure showing an SrSi2 (srs) net with 10(3) topology. </p>","PeriodicalId":7368,"journal":{"name":"Acta crystallographica. Section C, Crystal structure communications","volume":"69 Pt 12","pages":"1485-7"},"PeriodicalIF":0.8,"publicationDate":"2013-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S0108270113029788","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"31931576","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)tetrakis(μ4-1,1,1,5,5,5-hexafluoropentane-2,2,4,4-tetraolato)copper(II)octatin(II): a prospective precursor for Cu-doped SnO2 films.","authors":"Craig M Lieberman,&nbsp;Alexander S Filatov,&nbsp;Volodimir D Vreshch,&nbsp;Evgeny V Dikarev","doi":"10.1107/S0108270113025717","DOIUrl":"https://doi.org/10.1107/S0108270113025717","url":null,"abstract":"<p><p>The crystal structure of a tin-rich heterometallic supramolecular product, [CuSn8(C5HF6O2)2(C5H2F6O4)4] or [Sn4(hfpt)2-Cu(hfac)2-Sn4(hfpt)2], (I), is reported (hfpt is the tetraanion of 1,1,1,5,5,5-hexafluoropentane-2,2,4,4-tetraol and hfac is the anion of 1,1,1,5,5,5-hexafluoropentane-2,4-dione). Reaction between tin(II) tetraolate, [Sn4(hfpt)2], and copper(II) β-diketonate, [Cu(hfac)2], was utilized for the preparation of (I). The asymmetric unit consists of the whole [Sn4(hfpt)2] unit and half of a [Cu(hfac)2] unit, with the Cu atom lying on an inversion center. Intermolecular Cu···O interactions from the axial positions of copper in [Cu(hfac)2] and O atoms of the hfpt ligand in [Sn4(hfpt)2] mediate the formation of a sandwich-type structure for (I). Additional intermolecular Sn···O interactions between neighbouring [Sn4(hfpt)2] units complete a two-dimensional network.</p>","PeriodicalId":7368,"journal":{"name":"Acta crystallographica. Section C, Crystal structure communications","volume":"69 Pt 12","pages":"1427-30"},"PeriodicalIF":0.8,"publicationDate":"2013-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S0108270113025717","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"31932171","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Imidazolidin-2-one: pseudosymmetry and twinning.","authors":"Christina Taouss,&nbsp;Peter G Jones,&nbsp;Daniel J Tindall","doi":"10.1107/S0108270113030746","DOIUrl":"https://doi.org/10.1107/S0108270113030746","url":null,"abstract":"<p><p>The title compound, C3H6N2O, crystallizes with imposed twofold symmetry in the space group I4(1)/a. The five-membered ring displays a half-chair conformation. N-H···O hydrogen bonds connect the molecules to form R2(2)(8) rings and thence ribbons parallel to the a and b axes. These intersect via O2H2 rings involving longer H···O contacts. The crystal was merohedrally twinned. Preliminary indications of the higher symmetry space group I4(1)/amd, which would require the ring to be planar, proved to be incorrect. A previous brief report of the structure in Fdd2 is also probably incorrect.</p>","PeriodicalId":7368,"journal":{"name":"Acta crystallographica. Section C, Crystal structure communications","volume":"69 Pt 12","pages":"1534-6"},"PeriodicalIF":0.8,"publicationDate":"2013-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S0108270113030746","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"31930946","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Coordination polymeric structures in the sodium salt of 4-chloro-3-nitrobenzoic acid and the sodium and potassium salts of 4-nitroanthranilic acid.","authors":"Graham Smith","doi":"10.1107/S0108270113028977","DOIUrl":"https://doi.org/10.1107/S0108270113028977","url":null,"abstract":"<p><p>The structures of the hydrated sodium salts of 4-chloro-3-nitrobenzoic acid {poly[aqua(μ4-4-chloro-3-nitrobenzoato)sodium(I)], [Na(C7H3ClNO4)(H2O)]n, (I)} and 2-amino-4-nitrobenzoic acid {poly[μ-aqua-aqua(μ3-2-amino-4-nitrobenzoato)sodium(I)], [Na(C7H5N2O4)(H2O)2]n, (II)}, and the hydrated potassium salt of 2-amino-4-nitrobenzoic acid {poly[μ-aqua-aqua(μ5-2-amino-4-nitrobenzoato)potassium(I)], [K(C7H5N2O4)(H2O)]n, (III)} have been determined and their complex polymeric structures described. All three structures are stabilized by intra- and intermolecular hydrogen bonding and strong π-π ring interactions. In the structure of (I), the distorted trigonal bipyrimidal NaO5 coordination polyhedron comprises a monodentate water molecule and four bridging carboxylate O-atom donors, generating a two-dimensional polymeric structure lying parallel to (001). Intra-layer hydrogen-bonding associations and strong inter-ring π-π interactions are present. Structure (II) has a distorted octahedral NaO6 stereochemistry, with four bridging O-atom donors, two from a single carboxylate group and two from a single nitro group and three from the two water molecules, one of which is bridging. Na centres are linked through centrosymmetric four-membered duplex water bridges and through 18-membered duplex head-to-tail ligand bridges. Similar centrosymmetric bridges are found in the structure of (III), and in both (II) and (III) strong inter-ring π-π interactions are found. A two-dimensional layered structure lying parallel to (010) is generated in (II), whereas in (III) the structure is three-dimensional. With (III), the irregular KO7 coordination polyhedron comprises a doubly bridging water molecule, a single bidentate bridging carboxylate O-atom donor and three bridging O-atom donors from the two nitro groups. A three-dimensional structure is generated. These coordination polymer structures are among the few examples of metal complexes of any type with either 4-chloro-3-nitrobenzoic acid or 4-nitroanthranilic acid. </p>","PeriodicalId":7368,"journal":{"name":"Acta crystallographica. Section C, Crystal structure communications","volume":"69 Pt 12","pages":"1472-7"},"PeriodicalIF":0.8,"publicationDate":"2013-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S0108270113028977","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"31931573","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Arrangement of Rh3+ ions in fac-triamminetrichloridorhodium from powder data and in fac-triamminetrinitratorhodium crystals twinned by merohedry.","authors":"Alexander D Vasiliev,&nbsp;Maxim S Molokeev,&nbsp;Iraida A Baidina,&nbsp;Anatoly V Belyaev,&nbsp;Sofiya N Vorob'eva","doi":"10.1107/S010827011303076X","DOIUrl":"https://doi.org/10.1107/S010827011303076X","url":null,"abstract":"<p><p>The rhodium complexes [RhCl3(NH3)3], (I), and [Rh(NO3)3(NH3)3], (II), are built from octahedral RhX3(NH3)3 units; in (I) they are isolated units, while in (II) the units are stacked in columns with partially filled sites for the Rh atoms. The octahedra of monoclinic crystals of (I) are linked by N-H···Cl hydrogen bonds and the Rh(3+) ions are located on the mirror planes. In the trigonal crystals of (II), the discontinuous `columns' along the threefold axis are linked by N-H···O hydrogen bonds. The structure of (I) has been solved using laboratory powder diffraction data, the structure of (II) has been solved by single-crystal methods using data from a merohedrally twinned sample. Both compounds possess low solubility in water.</p>","PeriodicalId":7368,"journal":{"name":"Acta crystallographica. Section C, Crystal structure communications","volume":"69 Pt 12","pages":"1462-6"},"PeriodicalIF":0.8,"publicationDate":"2013-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S010827011303076X","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"31932177","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}