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1.
S. Chandrasekar K. Panchanatheswaran 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):1442-1443
The identity of the title complex, C13H10ClNO·C7H6O2, is confirmed to be a hydrogen‐bonded adduct of benzoic acid and N‐(3‐chlorophenyl)‐α‐phenylnitrone. The two aromatic rings in the nitrone are trans about the C=N bond. 相似文献
2.
Hiroyuki Ishida Setsuo Kashino 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):476-479
2,5‐Dichloro‐3,6‐dihydroxy‐1,4‐benzoquinone (chloranilic acid) forms X—H?Y (X, Y = N or O) and C—H?Cl hydrogen bonds with pyrazole and imidazole to afford bis(pyrazolium) dichloroanilate and bis(imidazolium) dichloroanilate, (I) and (II), both 2C3H5N2+·C6Cl2O42?, and imidazolium chloroanilate acetonitrile solvate, C3H5N2+·C6HCl2O4?·C2H3N, (III). Their crystal structures demonstrate three novel supramolecular architectures based on supramolecular synthons to build a ladder, (I), a two‐dimensional network, (II), and a flat ribbon, (III). 相似文献
3.
Yu‐Xi Sun Ran Zhang Qing‐Mai Jin Xi‐Jing Zhi Xiao‐Ming Lü 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(8):o467-o469
The two title compounds, both with formula C18H16ClN3O, are structurally similar Schiff bases derived from the condensation of 4‐chlorobenzaldehyde or 2‐chlorobenzaldehyde with 4‐aminoantipyrine in methanol solution. As expected, both compounds adopt trans configurations about the central C=N bonds. In the crystal structure of the 4‐chloro analogue, molecules are linked through weak C—H⋯O hydrogen bonds, forming chains running along the a axis. In the crystal structure of the 2‐chloro analogue, molecules are linked through weak C—H⋯O and C—H⋯Cl hydrogen bonds, forming layers parallel to the ab plane. 相似文献
4.
Daniel E. Lynch Ian McClenaghan 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(11):o641-o643
Two chemical isomers of 3‐nitrobenzotrifluoride, namely 1‐(4‐chlorophenylsulfanyl)‐2‐nitro‐4‐(trifluoromethyl)benzene, C13H7ClF3NO2S, (I), and 1‐(4‐chlorophenylsulfanyl)‐4‐nitro‐2‐(trifluoromethyl)benzene, C13H7ClF3NO2S, (II), have been prepared and their crystal structures determined with the specific purpose of forming a cocrystal of the two. The two compounds display a similar conformation, with dihedral angles between the benzene rings of 83.1 (1) and 76.2 (1)°, respectively, but (I) packs in P while (II) packs in P21/c, with C—H⋯O interactions. No cocrystal could be formed, and it is suggested that the C—H⋯O associations in (II) prevent intermolecular mixing and promote phase separation. 相似文献
5.
Nagarajan Vembu Maruthai Nallu Semih Durmus Mathew Pazner Jered Garrison Wiley J. Youngs 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):o65-o68
In 2‐chlorophenyl 3‐nitrobenzenesulfonate, C12H8ClNO5S, and 2,4‐dichlorophenyl 3‐nitrobenzenesulfonate, C12H7Cl2NO5S, weak C—H⋯O interactions generate S(5), S(6) and (7) rings. The supramolecular aggregation is completed by the presence of π–π interactions and intermolecular van der Waals short contacts. 相似文献
6.
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
7.
Ramis Rao Subramanian Shanmuga S. Anandan Kuan Hiang Kwek Kum Sang Low S. Shanmuga Sundara Raj Hoong‐Kun Fun Ibrahim Abdul Razak John V. Hanna Seik Weng Ng 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):e292-e294
The monoclinic cell of dicyclohexylammonium 2,4‐dichlorophenoxyacetate contains four C12H24N+·C5H8Cl2O3? ion pairs. The ammonium N atom is hydrogen bonded to the oxygen ends of two carboxyl groups to form a 12‐membered O—C—O?HNH?O—C—O?HNH ring. In (2,4‐dichlorophenoxylacetato)bis(triphenylphosphine)silver(I), [Ag(C8H5Cl2O3)(C18H15P)2], the carboxyl CO2 unit chelates to the Ag atom in an anisobidentate manner [Ag—O = 2.436 (2) and 2.517 (2) Å]; the Ag atom shows distorted tetrahedral geometry. 相似文献
8.
Masood Parvez Kaleem M. Khosa Muhammad Mazhar Saqib Ali Manzar Sohail 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(1):m51-m54
The crystal structures of 3,3‐dimethyl‐3‐(trichlorogermyl)propionic acid, [Ge(C5H9O2)Cl3], 3,3‐dimethyl‐3‐(triphenylgermyl)propionic acid, [Ge(C6H5)3(C5H9O2)], and 3,3‐dimethyl‐3‐(tri‐p‐tolylgermyl)propionic acid, [Ge(C7H7)3(C5H9O2)], have slightly distorted tetrahedral geometries about the Ge atoms. All the structures form dimers via strong O—H·O hydrogen bonds, resulting in eight‐membered rings that can be best described in terms of graph‐set notation (8). 相似文献
9.
Graham Smith Urs D. Wermuth Jonathan M. White 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(2):o105-o109
The crystal structures of three proton‐transfer compounds of 5‐sulfosalicylic acid (3‐carboxy‐4‐hydroxybenzenesulfonic acid) with 4‐X‐substituted anilines (X = F, Cl and Br), namely 4‐fluoroanilinium 5‐sulfosalicylate (3‐carboxy‐4‐hydroxybenzenesulfonate) monohydrate, C6H7FN+·C7H5O6S−·H2O, (I), 4‐chloroanilinium 5‐sulfosalicylate hemihydrate, C6H7ClN+·C7H5O6S−·0.5H2O, (II), and 4‐bromoanilinium 5‐sulfosalicylate monohydrate, C6H7BrN+·C7H5O6S−·H2O, (III), have been determined. The asymmetric unit in (II) contains two formula units. All three compounds have three‐dimensional hydrogen‐bonded polymeric structures in which both the water molecule and the carboxylic acid group are involved in structure extension. With both (II) and (III), which are structurally similar, the common cyclic (8) dimeric carboxylic acid association is present, whereas in (I), an unusual cyclic (8) association involving all three hetero‐species is found. 相似文献
10.
Chenguang Li Paul D. Robinson Daniel J. Dyer 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(10):o596-o598
The two components of the title heterodimer, C17H21NO2·C8H5NO2, are linked end‐to‐end via O—H⋯O(=C) and C—H⋯O(=C) hydrogen‐bond interactions. Additional lateral C—H⋯O interactions link the dimers in a side‐by‐side fashion to produce wide infinite molecular ribbons. Adjacent ribbons are interconnected viaπ–π stacking and C—H⋯π(arene) interactions. This structure represents the first evidence of robust hydrogen‐bond formation between the moieties of pyridin‐4(1H)‐one and benzoic acid. 相似文献
11.
Eric P. Kelson Proma P. Phengsy Atta M. Arif 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(5):517-519
The aldehyde moiety in the title complex, chloro(2‐pyridinecarboxaldehyde‐N,O)(2,2′:6′,2′′‐terpyridine‐κ3N)ruthenium(II)–chloro(2‐pyridinecarboxylic acid‐N,O)(2,2′:6′,2′′‐terpyridine‐κ3N)ruthenium(II)–perchlorate–chloroform–water (1.8/0.2/2/1/1), [RuCl(C6H5NO)(C15H11N3)]1.8[RuCl(C6H5NO2)(C15H11N3)]0.2(ClO4)2·CHCl3·H2O, is a structural model of substrate coordination to a transfer hydrogenation catalyst. The title complex features two independent RuII complex cations that display very similar distorted octahedral coordination provided by the three N atoms of the 2,2′:6′,2′′‐terpyridine ligand, the N and O atoms of the 2‐pyridinecarboxaldehyde (pyCHO) ligand and a chloride ligand. One of the cation sites is disordered such that the aldehyde group is replaced by a 20 (1)% contribution from a carboxylic acid group (aldehyde H replaced by carboxyl O—H). Notable dimensions in the non‐disordered complex cation are Ru—N 2.034 (2) Å and Ru—O 2.079 (2) Å to the pyCHO ligand and O—C 1.239 (4) Å for the pyCHO carbonyl group. 相似文献
12.
Manfred Zabel Josef Breu Franz Rau Klaus‐Jürgen Range Volker Krey Anka Uffrecht Armin Buschauer 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):250-251
The structural information gained from the study of the chiral building block (R)‐(?)‐4‐(3,4‐dichlorophenyl)‐4‐(2‐pyridyl)butanoic acid–l ‐(?)‐ephedrine [methyl(1‐hydroxy‐1‐phenylprop‐2‐yl)ammonium 4‐(3,4‐dichlorophenyl)‐4‐(2‐pyridyl)butanoate], C10H16NO+·C15H12Cl2NO2?, can be used to deduce the absolute configuration of highly potent arpromidine‐type histamine H2 receptor agonists, as the chiral butanoic acid can be converted to (R)‐(?)‐3‐(3,4‐dichlorophenyl)‐3‐(2‐pyridyl)propylamine and to the corresponding R‐configured arpromidine analogue. 相似文献
13.
A. Abdul Ajees S. Parthasarathy S. Manikandan R. Raghunathan 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):473-475
The title compound, C23H15Cl2NO3, crystallizes with two independent molecules in the asymmetric unit. The chromanone moiety consists of a benzene ring fused with a six‐membered heterocyclic ring which adopts a sofa conformation. The five‐membered spiroisoxazoline ring is in an envelope conformation. The p‐chlorophenyl rings bridged by the five‐membered ring are nearly perpendicular to each other. The chromanone moiety of one molecule packs into the cavity formed by the p‐chlorophenyl rings of a second molecule through the formation of C—H?π interactions. The structure is stabilized by weak C—H?O, C—H?Cl and C—H?π interactions. 相似文献
14.
Huub Kooijman Kjeld J. C. van Bommel Willem Verboom David N. Reinhoudt Jan Kroon Anthony L. Spek 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):749-757
Two new polymorphs of the title compound, μ‐oxo‐bis{oxo{2,2′‐[propane‐1,3‐diylbis(nitrilomethylidyne)]diphenolato}rhenium(V)}, [Re2O(C17H16N2O3)2], are reported, containing either a conformation other than the one already known in the literature or a disorder involving both the new and the previously reported conformations. Four pseudo‐polymorphs of the title compound are also reported, containing four chloroform, two chloroform, two disordered dichloromethane or two water solvate molecules accompanying each Re complex molecule. Only in the hydrate does the Re complex adopt the old conformation. In all six structures, the complex molecule is located on a crystallographic inversion centre. Independent of the conformation, all ReV ions display the same, somewhat distorted, octahedral coordination. In all the solvates, hydrogen bonds are donated from the solvent to the O atoms bonded to Re, either of the C—H?O or O—H?O type, although the actual position of the solvent molecule can vary. Only in the hydrate is a two‐dimensional hydrogen‐bonded network found; isolated clusters are formed in all the other solvates. 相似文献
15.
Matthew R. Wood Thomas A. Brettell Roger A. Lalancette 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(2):m33-m35
The title salt, methyl (1R,2R,3S,5S,8S)‐3‐benzoyloxy‐8‐methyl‐8‐azabicyclo[3.2.1]octane‐2‐carboxylate tetrachloroaurate(III), (C17H22NO4)[AuCl4], has its protonated N atom intramolecularly hydrogen bonded to the O atom of the methoxycarbonyl group [N⋯O = 2.755 (6) Å and N—H⋯O = 136°]. Two close intermolecular C—H⋯O contacts exist, as well as five C—H⋯Cl close contacts. The [AuCl4]− anion was found to be distorted square planar. 相似文献
16.
Michael Bolte Alexander Degen Ernst Egert 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(11):1338-1342
We have determined the crystal structures of bicyclo[2.2.1]hept‐2‐ene‐endo‐cis‐5,6‐dicarboxylic anhydride, C9H8O3, (I), 1,2,3,4,7,7‐hexachlorobicyclo[2.2.1]hept‐2‐ene‐endo‐cis‐5,6‐dicarboxylic anhydride diethyl ether solvate, C9H2Cl6O3·0.16C4H10O, (II), bicyclo[2.2.1]hept‐2‐ene‐endo‐cis‐5,6‐dicarboxylic acid, C9H10O4, (III), 1,2,3,4,7,7‐hexachlorobicyclo[2.2.1]hept‐2‐ene‐endo‐cis‐5,6‐dicarboxylic acid, C9H4Cl6O4, (IVa) and (IVb), and ethyl 1,2,3,4,7,7‐hexachloro‐6‐carboxybicyclo[2.2.1]hept‐2‐ene‐endo‐cis‐5‐carboxylate monohydrate, C11H8Cl6O4·H2O, (V). Compounds (I) and (II) were prepared by a standard Diels–Alder reaction from maleic anhydride and cyclopentadiene or hexachlorocyclopentadiene, respectively. The crystal‐growing processes of these compounds led to surprising results: rapid recrystallization of (I) from diethyl ether and (II) from petroleum ether gave crystals of these compounds, however, crystallization by slow evaporation techniques using common solvents yielded new compounds in which the five‐membered heterocycle has been cleaved. 相似文献
17.
Shan Gao Ji‐Wei Liu Li‐Hua Huo Zhi‐Zhong Sun Jin‐Sheng Gao Seik Weng Ng 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):m363-m365
In the title neutral coordination polymer, [Cd(C6H3ClNO2)2(H2O)2]n, each CdII ion is coordinated by one N and four O atoms from three 2‐chloronicotinate ligands and by two aqua ligands, defining a distorted monocapped octahedral coordination geometry. Adjacent Cd atoms are linked by the pyridyl N atom and the bidentate carboxylate functional group of a 2‐chloronicotinate ligand, forming a one‐dimensional infinite chain along the b axis. The Cd⋯Cd distance is 8.112 (3) Å. These chains are linked by O—H⋯O and O—H⋯N hydrogen bonds into a three‐dimensional network structure. 相似文献
18.
Yoshiki Ohgo Saburo Neya Noriaki Funasaki Mikio Nakamura 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(6):694-695
The title complex, (diethyl 3,4,8,15,19,20‐hexamethyl‐21,22,23,24‐tetraazopentacyclo[16.2.1.12,5.17,11.114,17]tetracosa‐1(20),2(22),3,5,7,9,11,13(24),14,16,18‐undecaene‐9,14‐dicarboxylate‐κ4N)iodoiron(III) chloroform solvate, [Fe(C32H32N4O4)I]·CHCl3, shows an almost planar arrangement of the corrphycene moiety with a slightly distorted trapezoid pyramidal core; the FeIII atom is 0.416 (1) Å from the plane of the C20N4 system. The Fe—N distances are 2.049 (3), 2.044 (3), 2.079 (3) and 2.075 (3) Å. The solvated chloroform forms a C—H?O hydrogen bond [C?O 3.107 (10) Å] to an adjacent carbonyl O atom. This is the first X‐ray structure analysis of a corrphycenatoiron(III) derivative. 相似文献
19.
Christer B. Aakery John Desper Brock Levin 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(12):o702-o704
Two new polymorphs of 4‐(N,N‐dimethylamino)benzoic acid, C9H11NO2, resulting from the attempted cocrystallization in ethanol of 4‐(N,N‐dimethylamino)benzoic acid and a mixture of 3‐(N,N‐dimethylamino)benzoic acid and 3‐(3‐pyridyl)‐2‐pyridone producing one polymorph, and a mixture of 3‐(N,N‐dimethylamino)benzoic acid and 5‐methoxy‐3,3′‐bipyridine producing the second polymorph, have been crystallographically characterized. The primary intermolecular O—H⋯O hydrogen bonds generate a dimeric acid–acid motif that is present in all three polymorphs. 相似文献
20.
Maciej Kubicki 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(4):o255-o257
In two closely related 1‐aryl‐2‐methyl‐4‐nitro‐5‐cyanoimidazoles, namely 2‐methyl‐4‐nitro‐1‐phenyl‐1H‐imidazole‐5‐carbonitrile, C11H8N4O2, and 1‐(4‐chlorophenyl)‐2‐methyl‐4‐nitro‐1H‐imidazole‐5‐carbonitrile, C11H7ClN4O2, different weak intermolecular interactions determine the crystal packing. In the 1‐phenyl derivative, dipole–dipole interactions between antiparallel cyano groups connect molecules into centrosymmetric dimers, while in the 1‐(4‐chlorophenyl) derivative, the dimers are connected by C≡N⋯Cl—C halogen bonds. These interactions, together with weak C—H⋯O(N) hydrogen bonds, connect molecules related by subsequent centres of inversion into infinite tapes. 相似文献