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1.
Sibrina N. Collins Jeanette A. Krause Morrisa Regis P. J. Ball William B. Connick 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(11):m528-m530
catena‐Poly[[[dichloridoiron(II)]‐μ‐N,N′‐bis(2‐pyridylmethylene)benzene‐1,4‐diamine] methanol disolvate], [FeCl2(C18H14N4)]·2CH3OH, forms a one‐dimensional coordination polymer. The polymeric chains run parallel to the c axis. O—H...Cl—Fe and C—H...O hydrogen‐bonding interactions with methanol solvent molecules stabilize the open supramolecular framework. Each FeII atom adopts an octahedral geometry coordinated by four N atoms from two N,N′‐bis(2‐pyridylmethylene)benzene‐1,4‐diamine ligands and completed by two cis Cl atoms. The compound has C2 (and Ci) molecular symmetry, which is coincident with the crystallographic twofold symmetry at (0, y, ). The one‐dimensional structure is propagated via the crystallographic inversion center located at the benzene ring centroid (0, , 0). 相似文献
2.
Concetta Pacifico Mariarita Laforgia Francesco P. Intini Giacomo Padovano Giovanni Natile 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(7):m306-m310
Two new polymorphs of the title compound, K[PtCl3(C6H15O4PS)], already known in the monoclinic form, were obtained by crystallization from acetone–n‐pentane solutions of different composition. Both polymorphs are orthorhombic in the space group P212121, with Z′ = 1 (solvent ratio 1:4) and 3 (solvent ratio 1:9). In both polymorphs, electrostatic interactions link K+ cations and [PtCl3(SMP)]− anions [SMP is diethyl (methylsulfinylmethyl)phosphonate] in infinite chains, while adjacent chains are held together by weak C—H⋯Cl and C—H⋯O hydrogen‐bond interactions. 相似文献
3.
Gavin Blewett Catharine Esterhuysen Martin W. Bredenkamp Klaus R. Koch 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(12):o862-o864
The title compound, C14H16N2O4S2, is the first reported X‐ray crystallographic structure determination of a bipodal O‐alkyl N‐benzoylthiocarbamate. This compound crystallizes in a cis‐S,O orientation (Z,Z′ configuration), with the two S/O moieties anti relative to one another, as indicated by the twofold rotation axis located at the center of the benzene ring. 相似文献
4.
Alexander Gutirrez Braulio Insuasty Justo Cobo Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(1):o10-o12
The title compound, C16H14FNOS, crystallizes with Z′ = 2 in the space group P21/c. In one of the two independent molecules, the heterocyclic ring is effectively planar, but in the other molecule this ring adopts an envelope conformation. The molecules are weakly linked by two C—H...O hydrogen bonds to form C22(14) chains. Comparisons are made with some symmetrically substituted 2‐aryl‐3‐benzyl‐1,3‐thiazolidin‐4‐ones. 相似文献
5.
Khazaei Ardeshir R. Eric Banks Mohammed K. Besheesh Alan K. Brisdon Robin G. Pritchard 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(8):970-972
The title compound, N,N′‐difluoro‐N,N′‐ethylenedi‐p‐toluenesulfonamide, C16H18F2N2O4S2·CHCl3, is a novel stable compound of the N—F class of reagents containing two R2N—F functionalities. The compound, as the chloroform solvate, is the first such bis(N—F) compound to be structurally characterized. It adopts a solid‐state structure in which the two aromatic rings are antiperiplanar and a combination of weak C—H?F and C—H?O hydrogen bonds [distances and angles range from 3.265 (4) to 3.439 (4) Å and 150 to 170°, respectively] and π‐stacking between the rings of different molecules (separations of 3.717 and 3.926 Å) results in a solid‐state structure containing well defined channels in which CHCl3 solvent molecules are located. The N—F distances are 1.428 (3) and 1.433 (3) Å. 相似文献
6.
Peter N. Bungu Leo Kirsten Stefanus Otto 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(5):m154-m156
The crystal structure of the title compound, trans‐[PtCl2(C16H23P)2], has been determined at 100 K. The Pt atom is located on a twofold axis and adopts a distorted square‐planar coordination geometry. The structure is only the second example of a coordination complex containing a derivative of the 4,8‐dimethyl‐2‐phosphabicyclo[3.3.1]nonane (Lim) phosphine ligand family. The ligand contains four chiral C atoms, with the stereochemistry at three of these fixed during synthesis, therefore resulting in two possible ligand stereoisomers. The compound crystallizes in the chiral space group P43212 but is racemic, comprising an equimolar mixture of both stereoisomers disordered on a single ligand site. The effective cone angles for both isomers are the same at 146°. 相似文献
7.
Jan W. Bats Stefan Scholz Hans‐Wolfram Lerner 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(7):o439-o441
The crystal structure of di‐tert‐butylsilanediol, C8H20O2Si, has a reversible phase transition at 211 (2) K. The orthorhombic high‐temperature structure has space group Ibam, with Z′ = , and shows a disordered hydrogen‐bonding system. The low‐temperature structure, determined at 143 (2) K, has a twinned monoclinic cell, with space group C2/c and Z′ = 2, and shows an ordered hydrogen‐bonding system. 相似文献
8.
B. Sridhar K. Ravikumar Y. S. Sadanandam 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(12):o687-o690
The title compound, C22H19N3O2S, crystallizes in two polymorphic forms having the same space group, viz. P, with Z′ = 2 and Z′ = 1. In both polymorphs, the planar thiazole ring is fused cis with the dihydropyrimidine ring, the carbamoyl group is in an extended conformation with an anticlinal orientation with respect to the pyrimidine ring, and the phenyl ring is attached to the pyrimidine ring approximately at a right angle. The two polymorphs have different interplanar angles between the phenyl and thiazole rings. The molecules are linked by N—H⋯O and C—H⋯O hydrogen bonds. 相似文献
9.
Lithiation of N‐(2,6‐diisopropylphenyl)‐N′‐(2‐pyridylethyl)benzamidine ( 1 ) with LiN(SiMe3)2 in a solvent mixture of toluene and TMEDA yields hexameric lithium N‐(2,6‐diisopropylphenyl)‐N′‐(2‐pyridylethyl)benzamidinate ( 2 ), which can be purified by recrystallization from a solvent mixture of toluene and THF. The three‐coordinate lithium ions have T‐shaped coordination spheres. The negative charge is delocalized within the 1,3‐diazaallylic system, which adopts a (syn‐Z)‐arrangement. 相似文献
10.
J. R. Anacona Jofre Gmez Daniel Loroo 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(5):o277-o280
Colourless crystals of the title compound, bis(2‐bromophenyl) disulfide, C12H8Br2S2, are obtained from the reaction of 2‐bromophenylmercaptan with metallic sodium and either zinc chloride or cadmium chloride in methanol. In the presence of ZnII ions, the crystals are orthorhombic (space group Pbca, with Z′ = 1); with CdII ions present, the product is triclinic (space group , with Z′ = 4). Both polymorphs exhibit significant intramolecular C—H⋯S hydrogen bonds. In the orthorhombic form, molecules are linked by intermolecular C—H⋯Br hydrogen bonds, while in the triclinic form, molecules exhibit Br⋯Br contacts. 相似文献
11.
Yao‐Cheng Shi Su‐Hua Zhang Hong‐Jian Cheng Wei‐Ping Sun 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(9):m407-m410
The title compounds, both [Fe(C5H5)(C15H14NO2)], crystallize with Z′ = 2 in the centrosymmetric space group P. In each compound, there is an intramolecular N—H⋯O=C hydrogen bond, and pairs of intermolecular O—H⋯O=C hydrogen bonds link the molecules into chains, parallel to [10] in the 3‐hydroxy compound and parallel to [10] in the 4‐hydroxy compound. 相似文献
12.
The chiral compound (H2cydiampy)[RuCl3(p‐cymene)]2 has been obtained in high yield by treating [RuCl2(p‐cymene)]2 with an excess of hydrochloric acid in the presence of one equivalent of N,N′‐bis‐(6‐methylpyrid‐2‐yl)‐(1R,2R)‐1,2‐diaminocyclohexane (cydiampy). It crystallizes in the chiral tetragonal space group P43212, with half of the atoms of the dication related to the other half by a crystallographic C2 axis that also makes equivalent the two anionic metal moieties. Copyright © 2005 John Wiley & Sons, Ltd. 相似文献
13.
Mijoon Lee Dusan Hesek Bruce C. Noll Allen G. Oliver Shahriar Mobashery 《Acta Crystallographica. Section C, Structural Chemistry》2014,70(11):1003-1006
The compound 2‐[(4‐phenoxyphenyl)sulfonylmethyl]thiirane, C15H14O3S2, a selective gelatinase inhibitor, was synthesized and structurally characterized. Two crystals were analyzed, one each for the R and S enantiomers, and the results were compared with the previously reported structure of the racemate. The enantiomerically pure compounds both crystallize with Z′ = 2 in the space group P21, while the racemic mixture crystallizes with Z′ = 1 in the space group P21/c, with disorder in the position of the thiirane group. This disorder accommodates both molecules for each of the enantiomerically pure crystals, showing good overlap of the molecules of the pure enantiomorphs with the components of the centrosymmetric structure. 相似文献
14.
Piotr Ku Peter G. Jones 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(12):o865-o867
The title compound, C9H7NS, crystallizes as the thione tautomer with Z′ = 8 (four independent dimers with local inversion symmetry via two N—H⋯S=C hydrogen‐bond systems). The dimers are arranged in chains parallel to [10], each chain being crystallographically independent. These chains are associated into layers via stacking of ring systems. The Z′ value can be rationalized in terms of a factor 2 for dimer formation without crystallographic symmetry and an additional factor 4 for differing stacking environments. 相似文献
15.
Maria H. Johansson ke Oskarsson Karin Lvqvist Fotini Kiriakidou Pramesh Kapoor 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(9):1053-1055
Both cis‐ and trans‐dichlorobis(diphenyl sulfide)platinum(II), [PtCl2(C12H10S)2], crystallize as mononuclear pseudo‐square‐planar complexes. In the cis compound, the Pt—Cl distances are 2.295 (2) and 2.319 (2) Å, and the Pt—S distances are 2.280 (2) and 2.283 (2) Å. In the trans compound, Pt is located on a centre of inversion and the Pt—Cl and Pt—S distances are 2.2786 (15) and 2.3002 (12) Å, respectively. 相似文献
16.
Reactions of PtCl2(cod) (cod = cycloocta‐1,5‐diene) with 2,4,6‐trifluoro‐ and 2,3,4,5‐tetrafluoro‐phenyllithium in diethyl ether gives Pt(C6H2F3‐2,4,6)2(cod) ( 1 ) (monoclinic, P21/n, Z = 4, a = 7.141(1), b = 15.002(2), c = 17.071(3) Å, β = 91.37(2)°) and Pt(C6HF4‐2,3,4,5)2(cod) ( 2 ) (triclinic, P 1, Z = 2, a = 10.150(2), b = 10.762(2), c = 10.812(2) Å, α = 63.606(3), β = 63.327(3), γ = 76.496(3)°) respectively, which have two ipso carbon atoms and two double bond midpoint centres in a square planar arrangement, and aromatic rings angled near perpendicular to the coordination plane. 相似文献
17.
From a range of preparative methods, three geometric isomers of bis(diphenylarsino)methane‐dichloroplatinum(II) have been isolated, viz. cis‐PtCl2(dpam), trans, trans‐Pt2Cl4(dpam)2 and cis, trans‐Pt2Cl4(dpam)2. Their structures were determined by single‐crystal X‐ray diffraction. 相似文献
18.
Antonio Quesada Maria A. Fontecha Maria V. Lpez John N. Low Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(8):o463-o466
The title compound (trivial name terbutylazine), C9H16ClN5, (I), crystallizes with Z′ = 4 in the space group Pca21, and equal numbers of molecules adopt two different conformations for the ethylamine groups. The four independent molecules form two approximately enantiomorphic pairs. Eight independent N—H...N hydrogen bonds link the molecules into two independent chains of R22(8) rings, in which the arrangement of the alkylamine substituents in the independent molecules precludes any further crystallographic symmetry. The significance of this study lies in its finding of two distinct molecular conformations within the structure and two distinct ways in which the molecules are organized into hydrogen‐bonded chains, and in its comparison of the hydrogen‐bonded structure of (I) with those of analogous 1,3,5‐triazines and pyrimidines. 相似文献
19.
Cinzia Bellucci Renzo Cini 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(9):1039-1040
The title compound, trans‐[RuIICl2(N1‐mepym)4] (mepym is 4‐methylpyrimidine, C5H6N2), obtained from the reaction of trans,cis,cis‐[RuIICl2(N1‐mepym)2(SbPh3)2] (Ph is phenyl) with excess mepym in ethanol, has fourfold crystallographic symmetry and has the four pyrimidine bases coordinated through N1 and arranged in a propeller‐like orientation. The Ru—N and Ru—Cl bond distances are 2.082 (2) and 2.400 (4) Å, respectively. The methyl group, and the N3 and Cl atoms are involved in intermolecular C—H?N and C—H?Cl hydrogen‐bond interactions. 相似文献
20.
Christian Hansson 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(8):m361-m363
The title compound, cis‐[PtCl2(C4H10S)2], crystallizes in the space group P21/n with pseudo‐square‐planar coordination geometry. The orientation of the ethyl groups on the S atoms is staggered with respect to the coordination plane, giving the complex approximate C2v symmetry. The complex does not form dimeric packing units with short Pt...S intradimeric distances as seen in some related complexes, but instead displays C—H...Cl interactions in three dimensions. These C—H...Cl—Pt contacts are compared with those of related compounds reported in the Cambridge Structural Database, which show a frequency maximum in the range 120–170° for the C—H...Cl angle. 相似文献