{"title":"Crystal structures of bis-[2-(di-phenyl-phosphino-thio-yl)phen-yl] ether and bis-{2-[diphen-yl(selanyl-idene)phosphan-yl]phen-yl} ether.","authors":"Daron E Janzen, Arianna M Kooyman, Kayla A Lange","doi":"10.1107/S1600536814023988","DOIUrl":"https://doi.org/10.1107/S1600536814023988","url":null,"abstract":"<p><p>The title compounds, C36H28OP2S2, (1), and C36H28OP2Se2, (2), exhibit remarkably similar structures although they are not isomorphous. The whole mol-ecule of compound (2) is generated by twofold symmetry, with the ether O atom located on the twofold axis. Both compounds have intra-molecular π-π inter-actions between terminal phenyl rings with centroid-centroid distances of 3.6214 (16) and 3.8027 (14) Å in (1) and (2), respectively. In the crystal of (1), short C-H⋯S hydrogen bonds link the mol-ecules, forming chains along [001], while in (2) there are no analogous C-H⋯Se inter-actions present. </p>","PeriodicalId":7117,"journal":{"name":"Acta crystallographica. Section E, Structure reports online","volume":null,"pages":null},"PeriodicalIF":0.9,"publicationDate":"2014-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S1600536814023988","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"32943828","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}
{"title":"Two-dimensional hydrogen-bonded polymers in the crystal structures of the ammonium salts of phen-oxy-acetic acid, (4-fluoro-phen-oxy)acetic acid and (4-chloro-2-methyl-phen-oxy)acetic acid.","authors":"Graham Smith","doi":"10.1107/S160053681402488X","DOIUrl":"https://doi.org/10.1107/S160053681402488X","url":null,"abstract":"<p><p>The structures of the ammonium salts of phen-oxy-acetic acid, NH4 (+)·C8H6O3 (-), (I), (4-fluoro-phen-oxy)acetic acid, NH4 (+)·C8H5FO3 (-), (II), and the herbicidally active (4-chloro-2-methyl-phen-oxy)acetic acid (MCPA), NH4 (+)·C9H8ClO3 (-)·0.5H2O, (III) have been determined. All have two-dimensional layered structures based on inter-species ammonium N-H⋯O hydrogen-bonding associations, which give core substructures consisting primarily of conjoined cyclic motifs. The crystals of (I) and (II) are isomorphous with the core comprising R 1 (2)(5), R 1 (2)(4) and centrosymmetric R 4 (2)(8) ring motifs, giving two-dimensional layers lying parallel to (100). In (III), the water mol-ecule of solvation lies on a crystallographic twofold rotation axis and bridges two carboxyl O atoms in an R 4 (4)(12) hydrogen-bonded motif, creating two R 4 (3)(10) rings, which together with a conjoined centrosymmetric R 4 (2)(8) ring incorporating both ammonium cations, generate two-dimensional layers lying parallel to (100). No π-π ring associations are present in any of the structures. </p>","PeriodicalId":7117,"journal":{"name":"Acta crystallographica. Section E, Structure reports online","volume":null,"pages":null},"PeriodicalIF":0.9,"publicationDate":"2014-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S160053681402488X","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"32943826","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}
{"title":"Crystal structure of tricarbon-yl(N-di-phenyl-phosphanyl-N,N'-diisopropyl-P-phenyl-phospho-nous di-amide-κ(2) P,P')cobalt(I) tetra-carbonyl-cobaltate(-I) toluene 0.25-solvate.","authors":"Laura Dura, Anke Spannenberg, Torsten Beweries","doi":"10.1107/S1600536814024908","DOIUrl":"https://doi.org/10.1107/S1600536814024908","url":null,"abstract":"<p><p>The asymmetric unit of the title compound, [Co(C24H30N2P2)(CO)3][Co(CO)4]·0.25C7H8, consists of two crystallographically independent cations with similar conformations, two anions, and one-half of a toluene mol-ecule disordered about an inversion centre. In the cations, a Co/P/N/P four-membered slightly bent metallacycle is the key structural element. The pendant NH group is not coordinated to the Co(I) atom, which displays a distorted trigonal-bipyramidal coordination geometry. Weak inter-ionic hydrogen bonds are observed between the NH groups and a carbonyl group of the tetrahedral [Co(CO)4](-) anions. </p>","PeriodicalId":7117,"journal":{"name":"Acta crystallographica. Section E, Structure reports online","volume":null,"pages":null},"PeriodicalIF":0.9,"publicationDate":"2014-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S1600536814024908","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"32943827","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}
Youngeun Jeon, Jineun Kim, Sangjin Lee, Tae Ho Kim
{"title":"Crystal structure of propaquizafop.","authors":"Youngeun Jeon, Jineun Kim, Sangjin Lee, Tae Ho Kim","doi":"10.1107/S1600536814024751","DOIUrl":"https://doi.org/10.1107/S1600536814024751","url":null,"abstract":"<p><p>The title compound, C22H22ClN3O5 {systematic name: 2-(propan-2-yl-idene-amino-oxy)ethyl (R)-2-[4-(6-chloro-quin-oxalin-2-yl-oxy)phen-oxy]propionate}, is a herbicide. The asymmetric unit comprises two independent mol-ecules in which the dihedral angles between the phenyl ring and the quinoxaline ring plane are 75.93 (7) and 82.77 (8)°. The crystal structure features C-H⋯O, C-H⋯N, and C-H⋯Cl hydrogen bonds, as well as weak π-π inter-actions [ring-centroid separation = 3.782 (2) and 3.5952 (19) Å], resulting in a three-dimensional architecture. </p>","PeriodicalId":7117,"journal":{"name":"Acta crystallographica. Section E, Structure reports online","volume":null,"pages":null},"PeriodicalIF":0.9,"publicationDate":"2014-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S1600536814024751","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"32945182","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}
M Kayalvizhi, G Vasuki, R Raj Kumar, V Rajeswar Rao
{"title":"Crystal structure of (Z)-3-{3-(4-chloro-phen-yl)-2-[(4-chloro-phen-yl)imino]-2,3-di-hydro-thia-zol-4-yl}-2H-chromen-2-one.","authors":"M Kayalvizhi, G Vasuki, R Raj Kumar, V Rajeswar Rao","doi":"10.1107/S1600536814024775","DOIUrl":"https://doi.org/10.1107/S1600536814024775","url":null,"abstract":"<p><p>In the title compound, C24H14Cl2N2O2S, the 2H-chromene ring system is approximately planar, with a maximum deviation of 0.025 (2) Å. The thia-zole ring is almost planar, with an r.m.s. deviation of 0.0022 Å, and makes a dihedral angle of 58.52 (7)° with the chromene ring system. The chromene ring system is inclined at angles of 58.3 (1) and 55.39 (9)° with respect to the two chloro-phenyl rings. The two chloro-phenyl rings show significant deviation from coplanarity, with a dihedral angle between them of 47.69 (8)°. The crystal structure features C-H⋯Cl inter-actions extending in (100) and propagating along the a-axis direction and weak π-π inter-actions [centroid-centroid separation = 3.867 (2) Å]. </p>","PeriodicalId":7117,"journal":{"name":"Acta crystallographica. Section E, Structure reports online","volume":null,"pages":null},"PeriodicalIF":0.9,"publicationDate":"2014-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S1600536814024775","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"32945183","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}
{"title":"Crystal structure of bis-(2,2':6',2''-terpyridine-κ(3) N,N',N'')nickel(II) dicyanidoaurate(I).","authors":"Frankie White, Richard E Sykora","doi":"10.1107/S1600536814024672","DOIUrl":"https://doi.org/10.1107/S1600536814024672","url":null,"abstract":"<p><p>The title compound, [Ni(C15H11N3)2][Au(CN)2]2, is an ionic compound composed of bis-(2,2':6',2''-terpyridine)-nickel(II) dications and dicyanidoaurate(I) anions in a 1:2 ratio. The two tridentate terpyridine ligands define the coordination of the Ni(2+) cation, resulting in a nearly octa-hedral coordination sphere, although there is not any imposed crystallographic symmetry about the Ni(2+) site. The two nearly linear dicyanidoaurate(I) anions [C-Au-C = 179.0 (2) and 178.2 (2)°] contain a short aurophilic inter-action of 3.1017 (3) Å. The structure does not demonstrate any π-π stacking. Non-classical C-H⋯N inter-actions between the cations and anions build up a three-dimensional network. </p>","PeriodicalId":7117,"journal":{"name":"Acta crystallographica. Section E, Structure reports online","volume":null,"pages":null},"PeriodicalIF":0.9,"publicationDate":"2014-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S1600536814024672","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"32945005","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}
Mohamed El Ghozlani, El Mostapha Rakib, Ahmed Gamouh, Mohamed Saadi, Lahcen El Ammari
{"title":"Crystal structure of 3-{1-[(1-allyl-1H-indazol-6-yl)amino]-ethyl-idene}-6-methyl-2H-pyran-2,4(3H)-dione.","authors":"Mohamed El Ghozlani, El Mostapha Rakib, Ahmed Gamouh, Mohamed Saadi, Lahcen El Ammari","doi":"10.1107/S1600536814024520","DOIUrl":"https://doi.org/10.1107/S1600536814024520","url":null,"abstract":"<p><p>In the title compound, C18H17N3O3, the dihedral angle between the planes of the indazole ring system [maximum deviation = 0.012 (1) Å] and the pyran-2,4-dione ring is 54.03 (6)°. An intra-molecular N-H⋯O hydrogen bond closes an S(6) ring. The same H atom also participates in an inter-molecular N-H⋯O hydrogen bond, which generates an inversion dimer. The dimers are linked by weak C-H⋯O contacts, thereby forming a three-dimensional network. </p>","PeriodicalId":7117,"journal":{"name":"Acta crystallographica. Section E, Structure reports online","volume":null,"pages":null},"PeriodicalIF":0.9,"publicationDate":"2014-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S1600536814024520","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"32945296","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}
Thomas Wagner, Nena Christiansen, Cristian G Hrib, Dieter E Kaufmann, Frank T Edelmann
{"title":"Unexpected formation and crystal structure of tetra-kis-(1H-pyrazole-κN (2))-palladium(II) dichloride.","authors":"Thomas Wagner, Nena Christiansen, Cristian G Hrib, Dieter E Kaufmann, Frank T Edelmann","doi":"10.1107/S160053681402460X","DOIUrl":"https://doi.org/10.1107/S160053681402460X","url":null,"abstract":"<p><p>The title salt, [Pd(C3H4N2)4]Cl2, was obtained unexpectedly by the reaction of palladium(II) dichloride with equimolar amounts of 1-chloro-1-nitro-2,2,2-tris-(pyrazol-yl)ethane in methanol solution. The Pd(2+) cation is located on an inversion centre and has a square-planar coordination sphere defined by four N atoms of four neutral pyrazole ligands. The average Pd-N distance is 2.000 (2) Å. The two chloride anions are not coordinating to Pd(2+). They are connected to the complex cations through N-H⋯Cl hydrogen bonds. In addition, C-H⋯Cl hydrogen bonds are observed, leading to a three-dimensional linkage of cations and anions. </p>","PeriodicalId":7117,"journal":{"name":"Acta crystallographica. Section E, Structure reports online","volume":null,"pages":null},"PeriodicalIF":0.9,"publicationDate":"2014-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S160053681402460X","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"32946127","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}
Ouafa Amiri, El Mostapha Rakib, Abdellah Hannioui, Mohamed Saadi, Lahcen El Ammari
{"title":"Crystal structure of 2-(4-methyl-benzyl-idene)malono-nitrile.","authors":"Ouafa Amiri, El Mostapha Rakib, Abdellah Hannioui, Mohamed Saadi, Lahcen El Ammari","doi":"10.1107/S1600536814024660","DOIUrl":"https://doi.org/10.1107/S1600536814024660","url":null,"abstract":"<p><p>The mol-ecule of the title compound, C11H8N2, is approximately planar (r.m.s.deviation for all non-H atoms = 0.023 Å). The malono-nitrile C-C-C angle is 113.54 (13)°. In the crystal, mol-ecules stack head-to-tail along [010]. There are no significant inter-molecular inter-actions present. </p>","PeriodicalId":7117,"journal":{"name":"Acta crystallographica. Section E, Structure reports online","volume":null,"pages":null},"PeriodicalIF":0.9,"publicationDate":"2014-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S1600536814024660","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"32944693","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}
{"title":"Crystal structure of di-μ-chloro-acetato-hexa-kis-(di-methyl-formamide)-tetra-kis-(μ-N,2-dioxido-benzene-1-carboximidato)tetra-manganese(III)disodium dimethyl-formamide disolvate.","authors":"Connor I Daly, Matthias Zeller, Curtis M Zaleski","doi":"10.1107/S1600536814024441","DOIUrl":"https://doi.org/10.1107/S1600536814024441","url":null,"abstract":"<p><p>The synthesis, crystal structure, and FT-IR data for the title compound, [Na2Mn4(C2H2ClO2)2(C7H4NO3)4(C3H7NO)6]·2C3H7NO or Na2(O2CCH2Cl)2[12-MCMn(III) N(shi)-4](DMF)6·2DMF, where MC is metallacrown, shi(3-) is salicyl-hydroximate, and DMF is N,N-di-methyl-formamide, is reported. The macrocyclic metallacrown consists of an -[Mn(III)-N-O]4- ring repeat unit and the metallacrown captures two Na(+) ions in the central cavity above and below the plane of the metallacrown. Each Na(+) ion is seven-coordinate and is bridged to two ring Mn(III) ions, through either a coordinating DMF mol-ecule or a chloro-acetate anion. The ring Mn(III) ions have either a tetra-gonally distorted octa-hedral geometry or a distorted square-pyramidal geometry. Weak C-H⋯O inter-actions, in addition to pure van der Waals forces, contribute to the overall packing of the mol-ecules. The complete molecule has inversion symmetry and is disordered over two sets of sites with an occupancy ratio of 0.8783 (7):0.1217 (7). The solvent molecule is also disordered over two sets of sites, with an occupancy ratio of 0.615 (5):0.385 (5). </p>","PeriodicalId":7117,"journal":{"name":"Acta crystallographica. Section E, Structure reports online","volume":null,"pages":null},"PeriodicalIF":0.9,"publicationDate":"2014-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S1600536814024441","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"32944999","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}