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1.
Russell G. Baughman Kenneth L. Martin Rajendra K. Singh James O. Stoffer 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(2):o103-o106
In 2,4‐dihydroxybenzaldehyde 2,4‐dinitrophenylhydrazone N,N‐dimethylformamide solvate {or 4‐[(2,4‐dinitrophenyl)hydrazonomethyl]benzene‐1,3‐diol N,N‐dimethylformamide solvate}, C13H10N4O6·C3H7NO, (X), 2,4‐dihydroxyacetophenone 2,4‐dinitrophenylhydrazone N,N‐dimethylformamide solvate (or 4‐{1‐[(2,4‐dinitrophenyl)hydrazono]ethyl}benzene‐1,3‐diol N,N‐dimethylformamide solvate), C14H12N4O6·C3H7NO, (XI), and 2,4‐dihydroxybenzophenone 2,4‐dinitrophenylhydrazone N,N‐dimethylacetamide solvate (or 4‐{[(2,4‐dinitrophenyl)hydrazono]phenylmethyl}benzene‐1,3‐diol N,N‐dimethylacetamide solvate), C19H14N4O6·C4H9NO, (XII), the molecules all lack a center of symmetry, crystallize in centrosymmetric space groups and have been observed to exhibit non‐linear optical activity. In each case, the hydrazone skeleton is fairly planar, facilitated by the presence of two intramolecular hydrogen bonds and some partial N—N double‐bond character. Each molecule is hydrogen bonded to one solvent molecule. 相似文献
2.
Michael K. Dowd Edwin D. Stevens 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(7):o397-o399
Gossypol and cyclododecanone crystallize at room temperature as an inclusion complex in a 1:2 molar ratio. This complex, viz. 1,1′,6,6′,7,7′‐hexahydroxy‐5,5′‐diisopropyl‐3,3′‐dimethyl‐2,2′‐binaphthalene‐8,8′‐dicarboxaldehyde–cyclododecanone (1/2), C30H30O8·2C12H22O, is unusual in that there is limited intermolecular hydrogen bonding within the structure. Each cyclododecanone molecule accepts a hydrogen bond from a gossypol molecule, but there are no gossypol‐to‐gossypol hydrogen‐bond interactions. The gossypol molecules form a framework structure enclosing channels, and the cyclododecanone molecules lie in these channels. In terms of the number of non‐H guest atoms, this is the largest gossypol inclusion complex reported to date. 相似文献
3.
Tali Lavy Yana Sheynin Moshe Kapon Menahem Kaftory 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):o50-o53
The crystal structures of three 1:2 inclusion compounds that consist of host molecule 2,5‐diphenylhydroquinone (C18H14O2) and the guest molecules 2‐pyridone (C5H5NO), 1,3‐diphenyl‐2‐propen‐1‐one (chalcone, C15H12O) and 1‐(4‐methoxyphenyl)‐3‐phenyl‐2‐propen‐1‐one (4′‐methoxychalcone, C16H14O2) were determined in order to study the ability of guest molecules in inclusion compounds to undergo photoreaction. All of the crystals were found to be photoresistant. The three inclusion compounds crystallize in triclinic space group . In each case, the host/guest ratio is 1:2, with the host molecules occupying crystallographic centers of symmetry and the guest molecules occupying general positions. The guest molecules in each of the inclusion compounds are linked to the host molecules by hydrogen bonds. In the inclusion compound where the guest molecule is pyridone, the host molecule is disordered so that the hydroxy groups are distributed between two different sites, with occupancies of 0.738 (3) and 0.262 (3). The pyridone molecules form dimers via N—H⋯O hydrogen bonds. 相似文献
4.
Burkhard Ziemer Oxana Surygina 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(11):e528-e528
Crystals of the title compound, C9H12O, were formed as an unexpected by‐product during the recrystallization of (2R,3R)‐α,α,α′,α′‐tetramesityl‐1,4‐dioxaspiro[4,5]decane‐2,3‐dimethanol from hexane/ethyl acetate (7:3). Strong hydrogen bonds between hydroxide groups connect the molecules around one set of four symmetry‐equivalent 21 axes. 相似文献
5.
Jan W. Bats Andreas Rivas Nass A. Stephen K. Hashmi 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):814-817
The crystal structure of the title compound, (2,2′‐bipyridyl‐κ2N,N′)(tetraallyl 3,3,3′,3′‐tetramethyl‐1,1′‐bicyclopropane‐1,1′,2,2′‐tetracarboxylato‐κ2C2,C2′)palladium(II), [Pd(C26H32O8)(C10H8N2)], is disordered above 194 K. A doubling of the unit cell is observed on cooling. The structure at 143 K contains two ordered molecules related by a pseudo‐translation vector of approximately (0.44,0.00,0.50) or a pseudo‐inversion center at approximately (0.22,0.00,0.25). Weak intermolecular C—H?O interactions are enhanced in the low‐temperature structure. 相似文献
6.
Dmitrii S. Yufit Judith A. K. Howard Sergei I. Kozhushkov Rafael R. Kostikov Armin de Meijere 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(8):968-969
The central three‐membered ring in the title compound, trans‐1,1′,1′′‐cyclopropane‐1,2,3‐triyltris(cyclopropanol), C12H18O3, shows pronounced asymmetry of the bond lengths, which is induced by the different orientations of the substituents. A network of hydrogen bonds links the molecules into sheets. 相似文献
7.
Viktor Kettmann Jan Svetlik 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):1115-1116
The title compound, C19H19N2OS+·Br?·0.5C3H7NO, is an oxygen‐bridged phenylpyrimidine derivative in which the heterocyclic ring is protonated, the positive charge being dispersed over both of the N atoms. Both molecules in the asymmetric unit exist in an identical conformation, which consists of a central planar portion with the two terminal phenyl rings protruding from the same side of the plane. One of the independent molecules forms a strong hydrogen bond with the bromide anion, while the other is hydrogen bonded to the dimethylformamide solvent molecule. 相似文献
8.
B. de Castro C. Freire M. Teresa Duarte M. F. Minas da Piedade I. C. Santos 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):370-372
In the title complex, trans‐{2,2′‐[cyclohexane‐1,2‐diylbis(nitrilomethylidyne)]diphenolato‐κ4O,N,N′,O′}nickel(II)–chloroform (1/1), [Ni(C20H20N2O2)]·CHCl3, the Ni atom has a square‐planar geometry, slightly tetrahedrally distorted. The Ni—N and Ni—O bonding distances are within the expected ranges for Ni–Schiff base derivatives. The diimine bridge has a gauche conformation with the cyclohexyl ring almost coplanar with the NiN2O2 plane. The complex molecules pack in dimers with an Ni?Ni distance of 3.59 (1) Å and form a three‐dimensional structure displaying a herring‐bone configuration. Channels are occupied by solvent molecules, which are involved in C—H?O hydrogen bonds with the ligand O atoms. 相似文献
9.
Michael Bolte Alexander Degen Stephan Rühl 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):446-451
We have determined the crystal structures of 2,2′‐(4‐fluorophenyl)methylenebis(3‐hydroxy‐5,5‐dimethyl‐2‐cyclohexen‐1‐one), C23H27FO4, (I), 2,2′‐(4‐chlorophenyl)methylenebis(3‐hydroxy‐5,5‐dimethyl‐2‐cyclohexen‐1‐one), C23H27ClO4, (II), 2,2′‐(4‐hydroxyphenyl)methylenebis(3‐hydroxy‐5,5‐dimethyl‐2‐cyclohexen‐1‐one), C23H28O5, (III), 2,2′‐(4‐methylphenyl)methylenebis(3‐hydroxy‐5,5‐dimethyl‐2‐cyclohexen‐1‐one), C24H30O4, (IV), 2,2′‐(4‐methoxyphenyl)methylenebis(3‐hydroxy‐5,5‐dimethyl‐2‐cyclohexen‐1‐one), C24H30O5, (V), and 2,2′‐(4‐N,N′‐dimethylaminophenyl)methylenebis(3‐hydroxy‐5,5‐dimethyl‐2‐cyclohexen‐1‐one), C25H33NO4, (VI). Structures (III) to (VI) of these bis‐dimedone derivatives show nearly the same packing pattern irrespective of the different substituent in the para position of the aromatic ring. However, (II) does not fit into this scheme, although the Cl atom is a substituent not too different from the others. The different packing of the fluoro compound, (I), can be explained by the fact that it crystallizes with two molecules in the asymmetric unit, which show a different conformation of the dimedone ring. On the other hand, (I) shows a similar packing pattern to bis(2‐hydroxy‐4,4‐dimethyl‐6‐oxo‐1‐cyclohexenyl)phenylmethane, a compound containing an aromatic ring without any substituent and with Z′ = 2. 相似文献
10.
Ramaiyer Venkatraman Paresh Chandra Ray Frank R. Fronczek 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(9):o633-o635
Hexamethylenetetramine and rac‐trans‐1,2‐cyclohexanedicarboxylic acid crystallize in a 1:1 ratio as a neutral molecular adduct, C6H12N4·C8H12O4. Two dicarboxylic acid molecules and two tetramine molecules form a hydrogen‐bonded ring, in the shape of a rhombus, which lies on a crystallographic twofold axis bisecting the two diacid molecules. The O—H⋯N hydrogen bonds have lengths 2.6808 (19) and 2.6518 (19) Å, and, in each ring, both acid molecules have the same handedness. 相似文献
11.
Anthony Linden Boyan Iliev Heinz Heimgartner 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(6):o339-o343
The title macrocycle, C26H30N2O6, (VI), was obtained by `direct amide cyclization' from the linear precursor 3‐hydroxy‐N‐[1‐methyl‐1‐(N‐methyl‐N‐phenylcarbamoyl)ethyl]‐2‐phenylpropanamide, the N‐methylanilide of rac‐2‐methyl‐2‐[(3‐hydroxy‐2‐phenylpropanoyl)amino]propanoic acid, C13H17NO4, (IV). The reaction proceeds via the intermediate rac‐2‐(2‐hydroxy‐1‐phenylethyl)‐4,4‐dimethyl‐1,3‐oxazol‐5(4H)‐one, C13H15NO3, (V), which was synthesized independently and whose structure was also established. Unlike all previously described analogues, the title macrocycle has the cis‐diphenyl configuration. The 14‐membered ring has a distorted rectangular diamond‐based [3434] configuration and intermolecular N—H⋯O hydrogen bonds link the molecules into a three‐dimensional framework. The propanoic acid precursor forms a complex series of intermolecular hydrogen bonds, each of which involves pairwise association of molecules and which together result in the formation of extended two‐dimensional sheets. The oxazole intermediate forms centrosymmetric hydrogen‐bonded dimers in the solid state. 相似文献
12.
G. Mazumder M. De S. K. Mazumder A. Mukhopadhyay A. K. Das A. Van Aerschot 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(5):560-561
The title compound, 9(R)‐[6(R)‐hydroxymethyl‐1‐oxa‐4‐thiacyclohexan‐2‐yl]‐1,9‐dihydro‐6H‐purin‐6‐one–water (4/3), C10H12N4O3S·0.75H2O, crystallizes in the triclinic space group P1 with four molecules in the asymmetric unit and 0.75 waters of hydration per molecule. The structure was refined to an R value of 0.072 for 3382 observed reflections. The four crystallographically independent molecules are designated A, B, C and D. All four oxathiane rings adopt the chair conformation and the purine bases are in an anti orientation with respect to the sugar moieties. Molecules A and D and molecules C and B are base paired by a single hydrogen bond of the type N—H?N. These base pairs are again hydrogen bonded to their translated pairs in the direction of a cell diagonal. 相似文献
13.
Boris Shivachev Rosica Petrova Emilia Naydenova 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(8):o524-o526
The title compound [systematic name: 1′‐aminocyclohexanespiro‐4′‐imidazole‐2′,5′(3′H,4′H)‐dione], C8H13N3O2, has been synthesized and was found to crystallize in two different structures, both monoclinic and both with the same P21/c space group. In the first structure, there are two molecules in the asymmetric unit, one of which uses all of its hydrogen‐bond donors and acceptors and forms undulating layers, while the other forms chains propagating perpendicular to the layers. In the second structure, there is only one independent molecule and the packing is based on a chain structure mediated by hydrogen bonding between the hydantoin moieties and further grouped into hydrophilic layers separated by layers of the hydrophobic cyclohexyl groups. 相似文献
14.
Takashiro Akitsu Yasuaki Einaga 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(12):m640-m642
The title compounds, [Cu(C15H12Cl2NO)2], (I), and [Cu(C17H18NO2)2], (II), both adopt a compressed tetrahedral trans‐[CuN2O2] coordination geometry, the molecules having an umbrella conformation overall. These complexes differ from one another with respect to the 1‐phenylethylamine moieties, the direction of the benzene rings being either inside [in (I)] or inside and outside [in (II)] of the molecules. The crystals of (I) and (II) have Δ(R,R) and Λ(R,R) absolute configurations, respectively. 相似文献
15.
Hossni Ziyat My Youssef Ait Itto Mustapha Ait Ali Abdellah Karim Abdelkhalek Riahi Jean‐Claude Daran 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(2):o90-o93
The two new gem‐dihalogenocyclopropanes (1′S,3R)‐3‐(2′,2′‐dichloro‐1′‐methylcyclopropyl)‐6‐oxoheptanoic acid, C11H16Cl2O3, (2), and (1′S,3R)‐3‐(2′,2′‐dibromo‐1′‐methylcyclopropyl)‐6‐oxoheptanoic acid, C11H16Br2O3, (3), are isostructural. Both present two stereogenic centers at C1′ and C3. The absolute configuration was determined by X‐ray methods. The cyclopropyl rings are unsymmetrical, the shortest bond being distal with respect to the alkyl‐substituted C atom. 相似文献
16.
eljko K. Jaimovi Zoran D. Tomi Gerald Giester Vukadin M. Leovac 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(10):m381-m383
In the crystal structure of the title complex, [Co(C6H8N3S)3], the CoIII atom is octahedrally coordinated by three monodeprotonated bidentate 3,5‐dimethyl‐1H‐pyrazole‐1‐thiocarboxamide ligands with two thiocarboxamide N atoms in axial positions. The asymmetric unit contains two molecules (A and B) and these molecules are arranged in chains in an alternating fashion connected by N—H⋯S interactions. 相似文献
17.
Makoto Eishima Shigeru Ohba Masumi Suzuki Chiaki Nagasawa Takeshi Sugai 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(11):1391-1393
In the racemic crystals of (1S,2R)‐ or (1R,2S)‐1‐[N‐(chloroacetyl)carbamoylamino]‐2,3‐dihydro‐1H‐inden‐2‐yl chloroacetate, C14H14Cl2N2O4, (I), the enantiomeric molecules form a dimeric structure via the N—H?O cyclic hydrogen bond of the carbamoyl moieties. In the chiral crystals of (—)‐(1S,2R)‐1‐[N‐(chloroacetyl)carbamoylamino]‐2,3‐dihydro‐1H‐inden‐2‐yl chloroacetate, C14H14Cl2N2O4, (II), the N—H?O intermolecular hydrogen bond forms a zigzag chain around the twofold screw axis. The melting points and calculated densities of (I) and (II) are 446 and 396 K, and 1.481 and 1.445 Mg m?3, respectively. 相似文献
18.
Tamami Koshiyama Masako Kato 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(11):m446-m449
The title PtII complexes, viz. (2,2′‐bipyridine‐κ2N,N′)[(1R,2R)‐1,2‐diaminocyclohexane‐κ2N,N′]platinum(II) bis(hexafluorophosphate), [Pt(C6H14N2)(C10H8N2)](PF6)2, and [(1R,2R)‐1,2‐diaminocyclohexane‐κ2N,N′](1,10‐phenanthroline‐κ2N,N′)platinum(II) bis(hexafluorophosphate), [Pt(C6H14N2)(C12H8N2)](PF6)2, containing an aromatic α‐diimine and a non‐planar diaminocyclohexane, both form a ladder‐type structure, which is constructed via loose π–π stacking on the α‐diimine ligands and hydrogen bonding between the cyclic amines and the counter‐anions. In the former compound, there are two independent complex cations, both of which have a twofold axis through the Pt atom. 相似文献
19.
Joseph A. Potenza Thomas J. Emge Jennifer Albaneze Spencer Knapp Harvey J. Schugar 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):1494-1495
The title molecule, 2′‐pyrenylspiro[2,3‐dihydro‐1H‐cyclopenta[b]naphthalene‐2,5′‐1′,3′‐dioxane]‐4,9‐dione, C32H22O4, contains an electron‐donating pyrene group spiro‐linked to an electron‐accepting naphthoquinone. The molecules are V‐shaped in profile and stack to form columns along b with alternating, approximately coplanar, pyrene and naphthoquinone fragments. Intermolecular contacts within a column are consistent with some degree of π contact and possible long‐range delocalization. Individual columns form a herringbone pattern when the crystal is viewed along b . 相似文献
20.
Ayhan Elmali Ebru Kavlakoglu YalcÛn Elerman Ingrid Svoboda 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):1097-1099
The title compound, aquachloro{4,4′‐dibromo‐2,2′‐[o‐phenylenebis(nitrilomethylidyne)]diphenolato‐O,N,N′,O′}iron(III)–chloro{4,4′‐dibromo‐2,2′‐[o‐phenylenebis(nitrilomethyli‐dyne)]diphenolato‐O,N,N′,O′}iron(III)–dimethylformamide (1/1/1), [FeCl(C20H12Br2N2O2)][FeCl(C20H12Br2N2O2)(H2O)]·C3H7NO, contains one independent five‐coordinate [FeCl(C20H12Br2N2O2)] monomer, one six‐coordinate [FeCl(C20H12Br2N2O2)(H2O)] monomer and a non‐coordinating dimethylformamide solvent molecule in the asymmetric unit. In the five‐coordinate monomer, the Fe atom shows distorted square‐pyramidal geometry, with the N and O atoms of the ligand at the base and the Cl atom at the apex of the pyramid. In the six‐coordinate monomer, the Fe atom is in a distorted octahedral geometry and coordinated by the donor atoms of the tetrafunctional ligand in the horizontal plane, and the coordination sphere is completed by the O atom of the water molecule and the Cl atom at the axial positions. The title compound contains intermolecular O—H?O hydrogen bonds. Apart from these hydrogen bonds, there are also intermolecular C—H?Cl and C—H?O contacts. 相似文献