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Definitive crystal structure of 1,1'-bis-[1,2-dicarba-closo-dodeca-borane(11)]. 1,1'-双-[1,2-二碳-近十二硼烷[11]的确定晶体结构。
IF 0.9
Acta crystallographica. Section E, Structure reports online Pub Date : 2014-11-05 eCollection Date: 2014-12-01 DOI: 10.1107/S1600536814023897
Wing Y Man, Georgina M Rosair, Alan J Welch
{"title":"Definitive crystal structure of 1,1'-bis-[1,2-dicarba-closo-dodeca-borane(11)].","authors":"Wing Y Man,&nbsp;Georgina M Rosair,&nbsp;Alan J Welch","doi":"10.1107/S1600536814023897","DOIUrl":"https://doi.org/10.1107/S1600536814023897","url":null,"abstract":"<p><p>In the title compound, C4H22B20, the two {1,2-closo-C2B10H11} cages are linked across a centre of inversion with a C-C distance of 1.5339 (11) Å. By careful analysis of the structure, it is established that the non-linking cage C atom is equally disordered over cage vertices 2 and 3. </p>","PeriodicalId":7117,"journal":{"name":"Acta crystallographica. Section E, Structure reports online","volume":"70 Pt 12","pages":"462-5"},"PeriodicalIF":0.9,"publicationDate":"2014-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S1600536814023897","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"32944617","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 8
Crystal structure of 1,3-di-cyclo-hexyl-4,5-dimethyl-1H-imidazol-3-ium-2-carbodi-thio-ate chloro-form monosolvate. 1,3-二环己基-4,5-二甲基- 1h -咪唑-3-ium-2-碳硫盐氯化物单溶剂的晶体结构。
IF 0.9
Acta crystallographica. Section E, Structure reports online Pub Date : 2014-11-05 eCollection Date: 2014-12-01 DOI: 10.1107/S1600536814023800
Eyad Mallah, Kamal Sweidan, Wael Abu Dayyih, Manfred Steimann, Mahmoud Sunjuk
{"title":"Crystal structure of 1,3-di-cyclo-hexyl-4,5-dimethyl-1H-imidazol-3-ium-2-carbodi-thio-ate chloro-form monosolvate.","authors":"Eyad Mallah,&nbsp;Kamal Sweidan,&nbsp;Wael Abu Dayyih,&nbsp;Manfred Steimann,&nbsp;Mahmoud Sunjuk","doi":"10.1107/S1600536814023800","DOIUrl":"https://doi.org/10.1107/S1600536814023800","url":null,"abstract":"<p><p>The title compound, C18H28N2S2·CHCl3, crystallizes as a zwitterion. The C-S bonds are almost equivalent, with lengths of 1.666 (3) and 1.657 (3) Å. The S-C-S bond angle is expanded to 129.54 (16)° and the N-C-N angle is reduced to the tetra-hedal value of 108.8 (2)°. In the crystal, adjacent mol-ecules are linked via C-H⋯S hydrogen bonds, forming chains along [100]. The chloro-form solvent mol-ecule, which is disordered over two positions [occupancy ratio = 0.51 (2):0.49 (2)], is linked to the chain by bifurcated C-H⋯(S,S) hydrogen bonds. </p>","PeriodicalId":7117,"journal":{"name":"Acta crystallographica. Section E, Structure reports online","volume":"70 Pt 12","pages":"o1227-8"},"PeriodicalIF":0.9,"publicationDate":"2014-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S1600536814023800","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"32945288","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Crystal structure of 2-{[1-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-yl-oxy]carbon-yl}benzoic acid. 2-{[1-(2-甲基-5-硝基- 1h -咪唑-1-基)丙基-2-基氧]碳基}苯甲酸的晶体结构。
IF 0.9
Acta crystallographica. Section E, Structure reports online Pub Date : 2014-11-05 eCollection Date: 2014-12-01 DOI: 10.1107/S1600536814023927
Hafiz Abdullah Shahid, Sajid Jahangir, Syed Adnan Ali Shah, Hamizah Mohd Zaki, Humera Naz
{"title":"Crystal structure of 2-{[1-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-yl-oxy]carbon-yl}benzoic acid.","authors":"Hafiz Abdullah Shahid,&nbsp;Sajid Jahangir,&nbsp;Syed Adnan Ali Shah,&nbsp;Hamizah Mohd Zaki,&nbsp;Humera Naz","doi":"10.1107/S1600536814023927","DOIUrl":"https://doi.org/10.1107/S1600536814023927","url":null,"abstract":"<p><p>In the title compound, C15H15N3O6, the dihedral angle between the planes of the benzene and imidazole rings is 34.93 (10)°. An intra-molecular C-H⋯O hydrogen bond is observed. In the crystal, O-H⋯N hydrogen bonds link the mol-ecules into chains parallel to the c axis. </p>","PeriodicalId":7117,"journal":{"name":"Acta crystallographica. Section E, Structure reports online","volume":"70 Pt 12","pages":"o1237-8"},"PeriodicalIF":0.9,"publicationDate":"2014-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S1600536814023927","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"32945368","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Crystal structure of trans-aqua-(perchlorato-κO)bis-(propane-1,3-di-amine-κ(2) N,N')copper(II) perchlorate. 高氯酸反式水-(高氯酸-κ o)双-(丙烷-1,3-二胺-κ(2) N,N')铜(II)的晶体结构
IF 0.9
Acta crystallographica. Section E, Structure reports online Pub Date : 2014-10-31 eCollection Date: 2014-11-01 DOI: 10.1107/S1600536814023496
J Govindaraj, K Rajkumar, A S Ganeshraja, K Anbalagan, A SubbiahPandi
{"title":"Crystal structure of trans-aqua-(perchlorato-κO)bis-(propane-1,3-di-amine-κ(2) N,N')copper(II) perchlorate.","authors":"J Govindaraj,&nbsp;K Rajkumar,&nbsp;A S Ganeshraja,&nbsp;K Anbalagan,&nbsp;A SubbiahPandi","doi":"10.1107/S1600536814023496","DOIUrl":"https://doi.org/10.1107/S1600536814023496","url":null,"abstract":"<p><p>In the title compound, [Cu(ClO4)(C3H10N2)2(H2O)]ClO4, the Cu(II) atom has a distorted octa-hedral coordination sphere and is coordinated by the N atoms of two propane-1,3-di-amine ligands in the equatorial plane. The axial positions are occupied by a water O atom and an O atom of a disordered perchlorate anion [occupancy ratio 0.631 (9):0.369 (9)]. In the crystal, the various components are linked via O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds, forming sheets lying parallel to (001). </p>","PeriodicalId":7117,"journal":{"name":"Acta crystallographica. Section E, Structure reports online","volume":"70 Pt 11","pages":"438-40"},"PeriodicalIF":0.9,"publicationDate":"2014-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S1600536814023496","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"32888252","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Crystal structure of the 4 + 2 cyclo-adduct of photooxidized anthracene and C60 fullerene. 光氧化蒽与C60富勒烯的4 + 2环加合物的晶体结构。
IF 0.9
Acta crystallographica. Section E, Structure reports online Pub Date : 2014-10-31 eCollection Date: 2014-11-01 DOI: 10.1107/S1600536814019643
Gábor Bortel, Eva Kováts, Gábor Oszlányi, Sándor Pekker
{"title":"Crystal structure of the 4 + 2 cyclo-adduct of photooxidized anthracene and C60 fullerene.","authors":"Gábor Bortel,&nbsp;Eva Kováts,&nbsp;Gábor Oszlányi,&nbsp;Sándor Pekker","doi":"10.1107/S1600536814019643","DOIUrl":"https://doi.org/10.1107/S1600536814019643","url":null,"abstract":"<p><p>The structure of the title compound, 5,6-[(1R,10S)-2,9-dioxatri-cyclo-[8.6.0(3,8).0(11,16)]hexa-decane-1,10-di-yl]-(C60-Ih)[5,6]fullerene methane-dithione 0.1-solvate, C74H10O2·0.1CS2, has tetra-gonal (P42/n) symmetry at 100 K. It has a unique eight-membered ring, with two incorporated O atoms in place of the original central ring of the anthracene. The distortion of the mol-ecular geometry around the cyclo-adduct bonds corresponds to that seen in related fullerene derivatives. Close packing of the adduct forms cavities partially filled with disordered carbon di-sulfide solvent mol-ecule. The 41% occupancy of the cavities yields an overall 1:0.103 adduct-solvent ratio. Reaction steps are described as light-assisted singlet-oxygen generation, peroxide, epoxide and dioxocin derivative formation and the final step of thermally activated cyclo-addition. </p>","PeriodicalId":7117,"journal":{"name":"Acta crystallographica. Section E, Structure reports online","volume":"70 Pt 11","pages":"444-6"},"PeriodicalIF":0.9,"publicationDate":"2014-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S1600536814019643","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"32888254","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Crystal structure of tris-(phenyl-seleno-lato-κSe)tris-(tetra-hydro-furan-κO)thulium(III). 三-(苯基硒-lato-κ se)三-(四氢呋喃-κ o)铥(III)的晶体结构。
IF 0.9
Acta crystallographica. Section E, Structure reports online Pub Date : 2014-10-31 eCollection Date: 2014-11-01 DOI: 10.1107/S1600536814023733
Esther M Takaluoma, Raija Oilunkaniemi, Christian W Lehmann, Risto S Laitinen
{"title":"Crystal structure of tris-(phenyl-seleno-lato-κSe)tris-(tetra-hydro-furan-κO)thulium(III).","authors":"Esther M Takaluoma,&nbsp;Raija Oilunkaniemi,&nbsp;Christian W Lehmann,&nbsp;Risto S Laitinen","doi":"10.1107/S1600536814023733","DOIUrl":"https://doi.org/10.1107/S1600536814023733","url":null,"abstract":"<p><p>In the title compound, [Tm(C6H5Se)3(C4H8O)3], the Tm(III) atom lies on a threefold rotation axis and is coordinated by three phenyl-seleno-late ligands and three tetra-hydro-furan ligands leading to a distorted fac-octa-hedral coordination environment. The Tm-Se and Tm-O bond lengths are 2.7692 (17) and 2.345 (10) Å, respectively, and the bond angles are 91.32 (6)° for Se-Tm-Se, 92.6 (2) and 94.4 (2)° for Se-Tm-O, and 81.2 (3)° for O-Tm-O. In the crystal, the discrete complexes are linked by van der Waals inter-actions only. The crystal was refined as a non-merohedral twin (ratio = 0.65:0.35). </p>","PeriodicalId":7117,"journal":{"name":"Acta crystallographica. Section E, Structure reports online","volume":"70 Pt 11","pages":"m389"},"PeriodicalIF":0.9,"publicationDate":"2014-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257276/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"32889124","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Crystal structure of 1-benzyl-4-(2,4-di-chloro-phenyl)-2-imino-1,2,5,6,7,8,9,10-octa-hydro-cyclo-octa-[b]pyridine-3-carbo-nitrile. 1-苄基-4-(2,4-二氯苯基)-2-亚胺-1,2,5,6,7,8,9,10-八元-氢环八元-[b]吡啶-3-碳腈的晶体结构。
IF 0.9
Acta crystallographica. Section E, Structure reports online Pub Date : 2014-10-31 eCollection Date: 2014-11-01 DOI: 10.1107/S1600536814023071
R A Nagalakshmi, J Suresh, S Maharani, R Ranjith Kumar, P L Nilantha Lakshman
{"title":"Crystal structure of 1-benzyl-4-(2,4-di-chloro-phenyl)-2-imino-1,2,5,6,7,8,9,10-octa-hydro-cyclo-octa-[b]pyridine-3-carbo-nitrile.","authors":"R A Nagalakshmi,&nbsp;J Suresh,&nbsp;S Maharani,&nbsp;R Ranjith Kumar,&nbsp;P L Nilantha Lakshman","doi":"10.1107/S1600536814023071","DOIUrl":"https://doi.org/10.1107/S1600536814023071","url":null,"abstract":"<p><p>In the title compound, C25H23Cl2N3, the cyclo-octene ring adopts a twist chair-chair conformation. The dihedral angles between the central pyridine ring (r.m.s. deviation = 0.013 Å) and the pendant chloro-benzene and benzyl rings are 78.07 (11) and 87.47 (12)°, respectively. No directional inter-actions could be identified in the crystal and the packing is governed by van der Waals inter-actions. </p>","PeriodicalId":7117,"journal":{"name":"Acta crystallographica. Section E, Structure reports online","volume":"70 Pt 11","pages":"441-3"},"PeriodicalIF":0.9,"publicationDate":"2014-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257305/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"32888253","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Crystal structure of ethyl (2Z)-2-cyano-3-[(3-methyl-1-phenyl-1H-pyrazol-5-yl)amino]-prop-2-enoate. 乙基(2Z)-2-氰基-3-[(3-甲基-1-苯基- 1h -吡唑-5-基)氨基]- 2-丙烯酸酯的晶体结构。
IF 0.9
Acta crystallographica. Section E, Structure reports online Pub Date : 2014-10-31 eCollection Date: 2014-11-01 DOI: 10.1107/S1600536814023502
Joel T Mague, Shaaban K Mohamed, Mehmet Akkurt, Talaat I El-Emary, Mustafa R Albayati
{"title":"Crystal structure of ethyl (2Z)-2-cyano-3-[(3-methyl-1-phenyl-1H-pyrazol-5-yl)amino]-prop-2-enoate.","authors":"Joel T Mague,&nbsp;Shaaban K Mohamed,&nbsp;Mehmet Akkurt,&nbsp;Talaat I El-Emary,&nbsp;Mustafa R Albayati","doi":"10.1107/S1600536814023502","DOIUrl":"https://doi.org/10.1107/S1600536814023502","url":null,"abstract":"<p><p>The title compound, C16H16N4O2, crystallizes with two mol-ecules in the asymmetric unit, one of which shows disorder of the acetate group over two sets of sites in a 0.799 (2):0.201 (2) ratio. The phenyl group has a similar but opposite sense of twist relative to the pyrazole ring in the two mol-ecules, as indicated by the syn N-N-Car-Car (ar = aromatic) torsion angles of 39.7 (2) and -36.9 (2)°. Each mol-ecule features an intra-molecular N-H⋯O hydrogen bond, which closes an S(6) ring. In the crystal, C-H⋯O and C-H⋯N inter-actions direct the packing into a layered structure parallel to (110). </p>","PeriodicalId":7117,"journal":{"name":"Acta crystallographica. Section E, Structure reports online","volume":"70 Pt 11","pages":"o1214-5"},"PeriodicalIF":0.9,"publicationDate":"2014-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257344/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"32889872","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Crystal structure of 4-methyl-7-prop-oxy-2H-chromen-2-one. 4-甲基-7-丙氧基- 2h -铬-2- 1的晶体结构。
IF 0.9
Acta crystallographica. Section E, Structure reports online Pub Date : 2014-10-31 eCollection Date: 2014-11-01 DOI: 10.1107/S1600536814023678
Samuel Estrada-Soto, Amanda Sánchez-Recillas, Gabriel Navarrete-Vázquez, Hugo Tlahuext
{"title":"Crystal structure of 4-methyl-7-prop-oxy-2H-chromen-2-one.","authors":"Samuel Estrada-Soto, Amanda Sánchez-Recillas, Gabriel Navarrete-Vázquez, Hugo Tlahuext","doi":"10.1107/S1600536814023678","DOIUrl":"10.1107/S1600536814023678","url":null,"abstract":"<p><p>The asymmetric unit of the title compound, C13H14O3, contains two independent mol-ecules, A and B, that are inter-connected through an offset π-π inter-action [inter-centroid separation = 3.6087 (4) Å]. The fused benzene and pyran-2-one rings in each mol-ecule are essentially coplanar, having dihedral angles of 1.22 (12) and 1.57 (12)° for mol-ecules A and B, respectively. Similarly, the coumarin ring system and the 7-prop-oxy substituent are close to being coplanar [C-C-O-C torsion angles = 2.9 (2) and 1.4 (2)° for mol-ecules A and B, respectively]. In the crystal, the mol-ecules are connected by C-H⋯O hydrogen bonds, forming supra-molecular tapes along [100] that are linked into a three-dimensional network by C-H⋯π inter-actions, as well as by the aforementioned π-π inter-actions. </p>","PeriodicalId":7117,"journal":{"name":"Acta crystallographica. Section E, Structure reports online","volume":"70 Pt 11","pages":"451-3"},"PeriodicalIF":0.9,"publicationDate":"2014-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257269/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"32888256","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Crystal structure of a four-layered [3.3](3,5)pyridino-phane. 四层[3.3](3,5)吡啶烷的晶体结构。
IF 0.9
Acta crystallographica. Section E, Structure reports online Pub Date : 2014-10-31 eCollection Date: 2014-11-01 DOI: 10.1107/S1600536814023691
Masahiko Shibahara, Motonori Watanabe, Taisuke Matsumoto, Kenta Goto, Teruo Shinmyozu
{"title":"Crystal structure of a four-layered [3.3](3,5)pyridino-phane.","authors":"Masahiko Shibahara,&nbsp;Motonori Watanabe,&nbsp;Taisuke Matsumoto,&nbsp;Kenta Goto,&nbsp;Teruo Shinmyozu","doi":"10.1107/S1600536814023691","DOIUrl":"https://doi.org/10.1107/S1600536814023691","url":null,"abstract":"<p><p>The title compound, C40H46N2 {systematic name: 12,30-di-aza-hepta-cyclo[21.13.1.1(5,19).1(6,18).1(10,14).1(24,36).1(28,32)]do-tetra-conta-1(37),5(40),6(41),10(42),11,13,18,23,28,30,32(39),36(38)-dodeca-ene}, has syn-anti-syn geometry wherein the two outer [3.3]meta-cyclo-phane (MCP) moieties have a syn geometry, and contain the facing benzene and pyridine rings at dihedral angles of 26.26 (10) and 26.46 (10)°, respectively. The rings of the central [3.3]MCP unit are not parallel, but orientated at a slight angle of 2.66 (9)°. Three bridging methyl-ene groups are disordered over two sets of sites in a 0.60:0.40 ratio. In the crystal, the mol-ecules are linked by C-H⋯N inter-actions and inter-molecular C-H⋯π short contacts, generating a three-dimensional network. </p>","PeriodicalId":7117,"journal":{"name":"Acta crystallographica. Section E, Structure reports online","volume":"70 Pt 11","pages":"447-50"},"PeriodicalIF":0.9,"publicationDate":"2014-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257295/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"32888255","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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