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1.
Deepak Chopra T. P. Mohan B. Vishalakshi T. N. Guru Row 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(9):o540-o543
The crystal structures of the title compounds, viz. C24H14F2N2O2, (I), and C25H17FN2O2, (II), respectively, have been determined in order to unravel the role of an ordered F atom in generating stable supramolecular assemblies. On changing the substitution from fluorine to a methyl group, C—H⋯F interactions are replaced by C—H⋯π interactions, revealing the importance of such weak interactions when present alongside N—H⋯O and C—H⋯O hydrogen bonds. The dihedral angle between the planes of the 4‐fluorophenyl ring and the pyridine ring is 26.8 (1)° in (I), while that between the planes of the 4‐methylphenyl and pyridine rings is 29.5 (1)° in (II). 相似文献
2.
Yun He 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(10):m469-m471
In the title compound, [Ni(C15H8O7S)(H2O)4]·C3H7NO·H2O, the NiII cation is chelated by a 7‐hydroxy‐5‐oxidoflavone‐6‐sulfonate ligand through one oxide and one carbonyl O atom, and the sixfold coordination is completed by four aqua ligands. Individual molecules are linked into hydrogen‐bonded dimers by way of five pairs of O—H⋯O hydrogen bonds. These dimers, in turn, determine a three‐dimensional supramolecular arrangement through a variety of interdimeric interactions, such as O—H⋯O, C—H⋯O and π–π stacking. 相似文献
3.
Anna M. Trzeciak Iweta Pryjomska‐Ray Andrzej Gniewek Jzef J. Zikowski Tadeusz Lis 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(10):m491-m494
The title compound, [Pd2(C12H10O3P)2Cl2(C12H11O3P)2], consists of a dinuclear μ‐chloro‐bridged palladium unit with two diphenoxyphosphinite groups per Pd atom, linked together by a hydrogen bond. The asymmetric unit contains one half of the molecule, with the other half generated by an inversion centre. The geometry around the P atoms may be described as distorted tetrahedral. Adjacent molecules of the complex are linked by weak C—H⋯O and C—H⋯Cl hydrogen bonds. The structure is additionally stabilized by π–π stacking interactions between the aryl rings. These interactions form a herring‐bone pattern in the crystal structure. 相似文献
4.
Onur ahin Orhan Büyükgüngr Dursun Ali Kse Birgül Zümreoglu‐Karan Hacali Necefoglu 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(11):m513-m515
The CoII ion in the title complex {[Co(C5H2N2O4)(H2O)3]·1.72H2O}n, has a distorted octahedral coordination geometry comprised of three water ligands, one deprotonated pyrimidine N atom and an adjacent carboxylate O atom of one orotate ligand. The sixth coordination site is occupied by an exocyclic O atom from a neighbouring orotate moiety, and through this interaction a helicoidal chain is formed. The molecules are linked by intramolecular Owater—H⋯O and intermolecular N—H⋯O and Owater—H⋯O hydrogen bonds, forming a three‐dimensional network. 相似文献
5.
Na Liu Ai‐Ling Cheng En‐Qing Gao 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(2):o93-o95
In 3,4‐di‐2‐pyridyl‐1,2,5‐oxadiazole (dpo), C12H8N4O, each molecule resides on a twofold axis and interacts with eight neighbours via four C—H⋯N and four C—H⋯O interactions to generate a three‐dimensional hydrogen‐bonded architecture. In the perchlorate analogue, 2‐[3‐(2‐pyridyl)‐1,2,5‐oxadiazol‐4‐yl]pyridinium perchlorate, C12H9N4O+·ClO4− or [Hdpo]ClO4, the [Hdpo]+ cation is bisected by a crystallographic mirror plane, and the additional H atom in the cation is shared by the two pyridyl N atoms to form a symmetrical intramolecular N⋯H⋯N hydrogen bond. The cations and perchlorate anions are linked through C—H⋯O hydrogen bonds and π–π stacking interactions to form one‐dimensional tubes along the b‐axis direction. 相似文献
6.
Oscar Donoso‐Tauda Carlos A. Escobar Ramiro Araya‐Maturana Andrs Vega 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(10):o631-o632
The molecule of the title compound, C19H20O2S, corresponds to a chiral sulfinyldienol with two stereogenic centres, viz. the C atom susbtituted by the hydroxy group and the sulfinyl S atom. The molecule displays a V‐shape in the solid state. The dihedral angle defined by the least‐squares planes of the aromatic rings is 72.9 (1)°. The packing pattern exhibits the following intermolecular hydrogen bonds: one O—H⋯O [H⋯O = 1.98 Å, O⋯O = 2.785 (4) Å and O—H⋯O = 166°] and two C—H⋯O [H⋯O = 2.58 and 2.60 Å, C⋯O = 3.527 (5) and 3.347 (5) Å, and C—H⋯O = 164 and 134°]. These define a chain along b. 相似文献
7.
Yao‐Cheng Shi Bei‐Bei Zhu Chun‐Xia Sui 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(12):m577-m580
Molecules of 1‐acetyl‐3‐ferrocenyl‐5‐methyl‐1H‐pyrazole, [Fe(C5H5)(C11H11N2O)], form a centrosymmetric dimer generated by a combination of one C—H⋯π(pyrazole) and one C—H⋯π(cyclopentadienyl) interaction. The dimers are linked by C—H⋯π interactions, involving the pyrazole rings as acceptors, into layers parallel to (10). Molecules of 1‐acetyl‐5‐ferrocenyl‐3‐(2‐pyridyl)‐1H‐pyrazole, [Fe(C5H5)(C15H12N3O)], are linked by C—H⋯O interactions into a chain running in the [010] direction. Two chains of this type passing through each unit cell are connected by O⋯π(pyridyl) interactions into an [010] double chain. 相似文献
8.
Zhong‐Lu You 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(9):m406-m408
The title complex, [Cu(C11H14BrN2O)(NCS)]n, is an interesting thiocyanate‐bridged polynuclear copper(II) compound, which crystallizes with two independent molecules in the asymmetric unit. Each CuII atom is five‐coordinate in a square‐pyramidal configuration, with one O and two N atoms of one Schiff base ligand and one terminal N atom of a bridging thiocyanate ligand defining the basal plane, and one terminal S atom of another bridging thiocyanate ligand occupying the apical position. The {4‐bromo‐2‐[2‐(dimethylamino)ethyliminomethyl]phenolato}copper(II) units are linked by the bridging thiocyanate ligands, forming polymeric chains running along the a axis. There are weak intermolecular C—H⋯O and C—H⋯S hydrogen bonds between the chains in the crystal structure. 相似文献
9.
Marek Dabrowski Sergiusz Lulinski Janusz Serwatowski Magdalena Szczerbinska 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(12):o702-o704
The structure of the title compound, 2‐CH3O‐C5H3N–3‐B(OH)2 or C6H8BNO3, comprises two crystallographically independent molecules. The molecules are linked to each other by intermolecular O—H⋯N and C—H⋯O bonds to produce an infinite chain, while a two‐dimensional structure is formed as a result of π–π interactions of planar molecules. 相似文献
10.
Si‐Jia Xue Qing‐Dong Wang Jing‐Zhi Li 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(11):o666-o668
In the title compound, C15H15N5O3S, two parallel intermolecular N—H⋯S hydrogen bonds, forming an eight‐membered ring, link two molecules into a dimer unit; these dimer units linked into a chain of edge‐fused rings by weak C—H⋯O hydrogen bonds. 相似文献
11.
Veysel T. Yilmaz Canan Kazak Cumhur Kirilmis Murat Koca Frank W. Heinemann 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(7):o438-o441
The molecules of 2‐benzoyl‐1‐benzofuran, C15H10O2, (I), interact through double C—H⋯O hydrogen bonds, forming dimers that are further linked by C—H⋯O, C—H⋯π and π–π interactions, resulting in a three‐dimensional supramolecular network. The dihedral angle between the benzoyl and benzofuran fragments in (I) is 46.15 (3)°. The molecules of bis(5‐bromo‐1‐benzofuran‐2‐yl) ketone, C17H8Br2O3, (II), exhibit C2 symmetry, with the carbonyl group (C=O) lying along the twofold rotation axis, and are linked by a combination of C—H⋯O and C—H⋯π interactions and Br⋯Br contacts to form sheets. The stability of the molecular packing in 3‐mesityl‐3‐methylcyclobutyl 3‐methylnaphtho[1,2‐b]furan‐2‐yl ketone, C28H28O2, (III), arises from C—H⋯π and π–π stacking interactions. The fused naphthofuran moiety in (III) is essentially planar and makes a dihedral angle of 81.61 (3)° with the mean plane of the trimethylbenzene ring. 相似文献
12.
Hasan Karabyk Bilgehan Güzel Muhittin Aygün Gülnaz Boa Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(4):o215-o218
The title Schiff base compound, C28H26N2O2, possesses both OH and NH tautomeric character in its molecular structure. While the OH side of the compound is described as an intermediate state, its NH side adopts a predominantly zwitterionic form. The molecular structure of the compound is stabilized by both N+—H⋯O− and O—H⋯N intramolecular hydrogen bonds. There are two weak C—H⋯O hydrogen bonds leading to polymeric chains of topology C(5) and C(13) running along the b axis of the unit cell. In addition, intermolecular C—H⋯π interactions serve to stabilize the extended structure. 相似文献
13.
Fang‐Jun Huo Cai‐Xia Yin Xiang‐Lin Jin Pin Yang 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(5):o332-o335
The two title chromene compounds, 3,3a‐dihydrocyclopenta[b]chromen‐1(2H)‐one, C16H12O2, (I), and 2‐(2‐hydroxybenzylidene)‐3,3a‐dihydrocyclopenta[b]chromen‐1(2H)‐one, C19H14O3, (II), have been determined in the monoclinic space group P21/n. Compound (I) is mainly stabilized by C—H⋯π interactions. Compound (II) is linked into infinite one‐dimensional chains with a C(3) motif via intermolecular O—H⋯O hydrogen bonds. The intermolecular C—H⋯π and π–π interactions also play key roles in stabilizing the crystal packing. Two intramolecular C—H⋯O hydrogen bonds with S(5) motifs were detected in (II). 相似文献
14.
Zhong‐Lu You 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(8):m383-m385
The two title complexes, [ZnCl2(C11H15N3O3)], (I), and [ZnCl2(C11H15N3O3)]·0.5H2O, (II), are mononuclear zinc(II) compounds. In both structures, the ZnII atom is four‐coordinated in a tetrahedral configuration by one imine N atom and one phenolate O atom of a Schiff base, and by two Cl atoms. The structure of each of the two zinc(II) complex molecules of (II) is similar to that of (I). In (I), the molecules are linked through intermolecular hydrogen bonds, forming a three‐dimensional framework. In (II), the solvent water molecules are linked to the zinc(II) moieties through intermolecular O—H⋯O and O—H⋯Cl hydrogen bonds. The molecules in (II) are further linked via other intermolecular hydrogen bonds, forming a three‐dimensional framework. 相似文献
15.
Ewa Matczak‐Jon Katarzyna
lepokura Pawe Kafarski 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(3):o132-o135
The title compound, C6H9BrN2O6P2, a micromolar inhibitor of the farnesyl pyrophosphate synthase, is a Z‐isomer zwitterion with one negative phosphonate group and a protonated pyridine N atom. Two types of ribbons, both parallel to the a axis, formed by several centrosymmetrically related O—H⋯O and N—H⋯O hydrogen bonds are generated in the crystal structure. The resulting two‐dimensional (001) `double‐layered' networks are joined into a three‐dimensional network via inversion‐related halogen–oxygen interactions. 相似文献
16.
Nazan Ocak Ískeleli amil Ik Kemal Sancak Selami amaz Yasemin Ünver Mustafa Er 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):o363-o365
The title compounds, C12H20N6O2, (I), and C5H9N3O2, (II), display the characteristic features of 1,2,4‐triazole derivatives. Compound (I) lies about an inversion centre which is at the mid‐point of the central C—C bond. Compound (II) also contains a planar 1,2,4‐triazole ring but differs from (I) in that it has a hydroxy group attached to the ring. Molecules of (I) are held together in the crystal structure by intermolecular N—H⋯O contacts and by weak π–π stacking interactions between the 1,2,4‐triazole moieties. Compound (II) contains intermolecular O—H⋯O and N—H⋯O hydrogen bonds. 相似文献
17.
Rafal Kruszynski Tadeusz J. Bartczak 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(9):m439-m441
The title compound, [Sn4(CH3)8(C13H8Cl2NO2)2(C2H5O)2O2], is a centrosymmetric dimer, with three linearly fused four‐membered Sn—O—Sn—O rings. The coordination polyhedron of the Sn atom bonded to the carboxylate can be described as trigonal–bipyramidal distorted toward square‐pyramidal. That of the second Sn atom is similar, but the distortion towards square‐pyramidal geometry is greater. The Sn—O and Sn—C distances are 2.020 (2)–2.226 (2) and 2.096 (4)–2.114 (4) Å, respectively. The benzene rings of the 2‐[(2,3‐dichlorophenyl)amino]benzoate ligand subtend an angle of 50.49 (17)°; the conformation of the ligand is stabilized by intramolecular N—H⋯Cl and N—H⋯O hydrogen bonds. The structure is assembled viaπ–π stacking interactions to form chains parallel to [10]. 相似文献
18.
T. Vijay T. Narasimhamurthy H. S. Yathirajan R. S. Rathore P. Nagaraja 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(1):o36-o38
In the crystal structure of the title salt, C7H7Cl2N2O2+·Cl−, the chloride anions participate in extensive hydrogen bonding with the aminium cations and indirectly link the molecules through multiple N+—H⋯Cl− salt bridges. There are two independent molecules in the asymmetric unit, related by a pseudo‐inversion center. The direct intermolecular coupling is established by C—H⋯O, C—H⋯Cl and C—Cl⋯Cl− interactions. A rare three‐center (donor bifurcated) C—H⋯(O,O) hydrogen bond is observed between the methylene and nitro groups, with a side‐on intramolecular component of closed‐ring type and a head‐on intermolecular component. 相似文献
19.
Li Li Miao‐Li Zhu Li‐Ping Lu 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(6):m227-m228
In the title compound, [Cu(C4H6N2O3)(C8H8N2)]·3H2O, the CuII atom is coordinated in a square‐planar manner by one O atom and three N atoms from glycylglycinate and 2‐methylbenzimidazole ligands. The ternary complexes assemble into one‐dimensional chains through C—H⋯π interactions and direct N—H⋯O hydrogen bonding, as well as into hydrogen‐bonded water helices with branches which also link the complex chains into a three‐dimensional supramolecular structure. 相似文献
20.
Ahmet Bulut brahim Uar Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(5):m218-m220
The asymmetric unit of the title compound, {[Cu(C4O4)(C6H6N2O)2(H2O)2]·2H2O}n, consists of one pyridine‐4‐carboxamide (isonicotinamide or ina) ligand, one‐half of a squarate dianion, a coordinated aqua ligand and a solvent water molecule. Both the CuII and the squarate ions are located on inversion centers. The CuII ions are octahedrally surrounded by four O atoms of two water molecules and two squarate anions, and by two N atoms of the isonicotinamide ligands. The crystal structure contains chains of squarate‐1,3‐bridged CuII ions. These chains are held together by N—H⋯O and O—H⋯O intermolecular hydrogen‐bond interactions, forming an extensive three‐dimensional network. 相似文献