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1.
Lesaw Siero Maria Bukowska‐Strzyewska 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(1):19-21
In the title dimeric complex, [Cu2(C4H4O4)2(C7H6N2S)4], which possesses a centre of symmetry, the Cu atoms are enclosed in a 14‐membered ring. They adopt a distorted square‐bipyramidal (4+2) coordination. The four closest donor atoms are two N atoms of 2‐aminobenzothiazole ligands and two O atoms of the succinate carboxylate groups. They form a square‐planar cis arrangement, with an average Cu—N distance of 2.003 (3) Å and Cu—O distances of 1.949 (3) and 1.965 (3) Å. Two longer Cu—O bonds of 2.709 (3) and 2.613 (3) Å involving the remaining O atoms of the carboxylate groups complete the sixfold coordination of the Cu atoms. The H atoms of each amino group of the 2‐aminobenzothiazole molecules form intra‐ and intermolecular N—H?O hydrogen bonds. A nearly perpendicular intermolecular C—H?Cg interaction (Cg is the centroid of the imidazole ring) is observed. The intramolecular Cu?Cu distance is 6.384 (2) Å. 相似文献
2.
Norman Lu Wen‐Han Tu Zong‐Wei Wu Yuh‐Sheng Wen Ling‐Kang Liu 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(6):o289-o291
As part of a homologous series of novel polyfluorinated bipyridyl (bpy) ligands, the title compound, C16H14F6N2O2, contains the smallest fluorinated group, viz. CF3. The molecule resides on a crystallographic inversion centre at the mid‐point of the pyridine Cipso—Cipso bond. Therefore, the bpy skeleton lies in an anti conformation to avoid repulsion between the two pyridyl N atoms. Weak intramolecular C—H...N and C—H...O interactions are observed, similar to those in related polyfluorinated bpy–metal complexes. A π–π interaction is observed between the bpy rings of adjacent molecules and this is probably a primary driving force in crystallization. Weak intermolecular C—H...N hydrogen bonding is present between one of the CF3CH2– methylene H atoms and a pyridyl N atom related by translation along the [010] direction, in addition to weak benzyl‐type C—H...F interactions to atoms of the terminal CF3 group. It is of note that the O—CH2CF3 bond is almost perpendicular to the bpy plane. 相似文献
3.
Ahmed El‐Shafei David Hinks Paul D. Boyle Harold S. Freeman 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):o569-o571
The title compounds, C18H22Cl2N2O2 and C20H28N2O2, respectively, are isomorphous. The molecules lie at general positions in the unit cell. In each structure, chemically equivalent but crystallographically inequivalent amine N atoms exhibit different degrees of pyramidalization. The structures exhibit weak N—H⋯N hydrogen bonding, which is influenced by the differences in hybridization around the amine N atoms. The torsion angles across the biphenyl linkage for the two compounds are 67.2 (2) and 68.3 (3)°. 相似文献
4.
Konstantin V. Domasevitch 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(6):o326-o329
In the title compound, 2C10H14N4·3C6HF5O, one of the pentafluorophenol molecules resides on a mirror plane bisecting the O...F axis. The components aggregate by N—H...N, N—H...O and O—H...N hydrogen bonds involving equal disordering of the H atoms into molecular ensembles based on a 2:1 pyrazole–phenol cyclic pattern [O...N = 2.7768 (16) Å and N...N = 2.859 (2) Å], crosslinked into one‐dimensional columns via hydrogen bonding between the outer pyrazole groups and additional pentafluorophenol molecules. The latter yields a 1:1 pyrazole–phenol catemer with alternating strong O—H...N [2.5975 (16) Å] and weaker N—H...O [2.8719 (17) Å] hydrogen bonds. This is the first reported molecular adduct of a pentafluorinated phenol and a nitrogen base, and suggests the utility of highly acidic phenols and pyrazoles for developing hydrogen‐bonded cocrystals. 相似文献
5.
Osman Dayan Muharrem Diner Bekir etinkaya Namk
zdemir 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(7):m315-m318
In the title compound, [CuCl2(C11H15N3O2)], the CuII ion is five‐coordinated in a strongly distorted trigonal–bipyramidal arrangement, with the two methyloxime N atoms located in the apical positions, and the pyridine N and the Cl atoms located in the basal plane. The two axial Cu—N distances are almost equal (mean 2.098 Å) and are substantially longer than the equatorial Cu—N bond [1.9757 (15) Å]. It is observed that the N(oxime)—M—N(pyridine) bond angle for five‐membered chelate rings of 2,6‐diacetylpyridine dioxime complexes is inversely related to the magnitude of the M—N(pyridine) bond. The structure is stabilized by intra‐ and intermolecular C—H⋯Cl hydrogen bonds which involve the methyl H atoms, except for one of the two acetylmethyl groups. 相似文献
6.
Thidarat Chotkhun Sujittra Youngme Narongsak Chaichit 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(2):m59-m61
In the title dinuclear acetate‐bridged complex, [Cu2(C2H3O2)3(NCS)(C10H9N3)2], the two Cu atoms are five‐coordinated, with a basal plane consisting of two N atoms of a di‐2‐pyridylamine (dpyam) ligand and two O atoms of two different acetate ligands. The axial positions of these Cu atoms are coordinated to N and O atoms from thiocyanate and acetate molecules, respectively, leading to a distorted square‐pyramidal geometry with τ values of 0.30 and 0.22. Both CuII ions are linked by an acetate group in the equatorial–equatorial positions and have syn–anti bridging configurations. Hydrogen‐bond interactions between the amine H atom and the coordinated and uncoordinated O atoms of the acetate anions generate an infinite one‐dimensional chain. 相似文献
7.
Yun‐Liang Jiang Qing‐Yan Liu Yu‐Ling Wang 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(9):m297-m300
The title compound, [Zn2(C9H4O6)2(C6H6N4)2], consists of two ZnII ions, two 5‐carboxybenzene‐1,3‐dicarboxylate (Hbtc2−) dianions and two 2,2′‐bi‐1H‐imidazole (bimz) molecules. The ZnII centre is coordinated by two carboxylate O atoms from two Hbtc2− ligands and by two imidazole N atoms of a bimz ligand, in a distorted tetrahedral coordination geometry. Two neighbouring ZnII ions are bridged by a pair of Hbtc2− ligands, forming a discrete binuclear [Zn2(Hbtc)2(bimz)2] structure lying across an inversion centre. Hydrogen bonds between carboxyl H atoms and carboxylate O atoms and between imidazole H atoms and carboxylate O atoms link the binuclear units. These binuclear units are further extended into a three‐dimensional supramolecular structure through extensive O—H...O and N—H...O hydrogen bonds. Moreover, the three‐dimensional nature of the crystal packing is reinforced by the π–π stacking. The title compound exhibits photoluminescence in the solid state, with an emission maximum at 415 nm. 相似文献
8.
Jos Mahía Miguel A. Maestro Miguel Vzquez Manuel R. Bermejo Ana M. Gonzlez Marcelino Maneiro 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):492-493
The conformation of the title compound, C34H30N4O4S2, is strongly influenced by intramolecular N—H?N hydrogen‐bond interactions and by the rigidity endowed by the presence of a phenyl group between the imine N atoms. The molecule is not planar, with very short distances between the imine N atoms [N?N 2.753 (3) Å] and the amine N atoms [N?N 5.148 (4) Å]. Consequently, important changes in its conformation will be required if it is to act as a tetradentate ligand via its four N atoms. 相似文献
9.
Kateryna Gubina Vladimir Ovchynnikov Vladymir Amirkhanov Svetlana Shishkina 《Acta Crystallographica. Section C, Structural Chemistry》2013,69(6):606-609
In the title complex, [Cu(C16H16Cl3N3O2P)Cl(C12H8N2)], the CuII cation presents a square‐pyramidal environment, where the CuO2N2 base is formed by two O atoms from carbonyl and phosphoryl groups, and by two N atoms from a 1,10‐phenanthroline molecule. A coordinated Cl atom occupies the apex. N—H...Cl hydrogen bonds link the molecules into one‐dimensional chains. The trichloromethyl group is rotationally disordered over two positions, with occupancies of 0.747 (7) and 0.253 (7). 相似文献
10.
Xin‐Yi Cao Jian Zhang Yao Kang Jian‐Kai Cheng Yuan‐Gen Yao 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(12):m654-m656
In the title compound, [Cu(C8H4O5)(C5H5N)2]n or [Cu(OH‐BDC)(py)2]n (where OH‐H2BDC is 5‐hydroxyisophthalic acid and py is pyridine), the Cu atoms are coordinated by two N atoms from the pyridine ligands and by three O atoms from hydroxyisophthalate ligands in a highly distorted triangular bipyramidal environment, with Cu—O distances in the range 1.941 (4)–2.225 (5) Å and Cu—N distances of 2.014 (6) and 2.046 (6) Å. The [Cu(OH‐BDC)]n two‐dimensional network is built up from interlocking 22‐, 15‐ and eight‐membered rings via sharing of Cu atoms and O—H⋯O hydrogen bonds. Consolidation of the packing structure is achieved by edge‐ or point‐to‐face C—H⋯π interactions and offset or slipped π–π stacking interactions. 相似文献
11.
Choudhury M. Zakaria George Ferguson Alan J. Lough Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):m5-m7
In ferrocene‐1,1′‐diylbis(diphenylmethanol)–2,2′‐dipyridylamine (1/1), [Fe(C18H15O)2]·C10H9N3, (I), there is an intramolecular O—H?O hydrogen bond [H?O 2.03 Å, O?O 2.775 (2) Å and O—H?O 147°] in the ferrocenediol component, and the two neutral molecular components are linked by one O—H?N hydrogen bond [H?N 1.96 Å, O?N 2.755 (2) Å and O—H?N, 157°] and one N—H?O hydrogen bond [H?O 2.26 Å, N?O 3.112 (2) Å and N—H?O 164°] forming a cyclic R(8) motif. One of the pyridyl N atoms plays no part in the intermolecular hydrogen bonding, but participates in a short intramolecular C—H?N contact [H?N 2.31 Å, C?N 2.922 (2) Å and C—H?N 122°]. 相似文献
12.
Muharrem Diner Osman Dayan Bekir etinkaya Namk
zdemir 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(9):m398-m400
In the title compound, [CoCl2(C11H15N3O2)], the CoII ion is five‐coordinated in a strongly distorted square‐pyramidal arrangement, with one of the two Cl atoms located in the apical position, and the other Cl atom and the three N‐donor atoms of the tridentate methyloxime ligand located in the basal plane. The non‐H atoms, except for the Cl atoms, lie on a mirror plane. The two equatorial Co—Noxime distances are almost equal (mean 2.253 Å) and are substantially longer than the equatorial Co—Npyridine bond [2.0390 (19) Å]. The structure is stabilized by intra‐ and intermolecular C—H⋯Cl contacts, which involve one of the methyl C atoms belonging to the methyloxime groups. 相似文献
13.
Xin‐Yi Cao Jian Zhang Yao Kang Jian‐Kai Cheng Zhao‐Ji Li Xiao‐Qin Wang Yi‐Hang Wen Yuan‐Gen Yao 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):m350-m352
In the title compound, {[Zn(C8H4O5)(C12H8N2)]·H2O}n or {[Zn(OH‐BDC)(phen)]·H2O}n (where OH‐H2BDC is 5‐hydroxyisophthalic acid and phen is 1,10‐phenanthroline), the Zn atoms are coordinated by two N atoms from the phen ligands and by four O atoms from hydroxyisophthalate ligands in a highly distorted octahedral geometry, with Zn—O distances in the range 2.042 (4)–2.085 (5) Å and Zn—N distances of 2.133 (5) and 2.137 (5) Å. The {[Zn(OH‐BDC)(phen)]·H2O}n infinite zigzag polymer forms a helical chain of [Zn2(OH‐BDC)2]n units. Face‐to‐face π–π interactions (3.60–3.75 Å) occur between two phen rings belonging to the same helical chain. Consolidation of the packing structure is achieved by O—H⋯O hydrogen‐bonding interactions between the carboxylate O atoms, the hydroxyl group and the water molecule, forming two‐dimensional sheets. 相似文献
14.
Yu‐Hong Xue Duan‐Jun Xu Jian‐Ming Gu 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(10):m387-m389
The crystal structure of the title compound, [Co(C4H2O4)(C7H6N2)3]n, consists of polymeric chains of the CoII complex. Two maleate dianions and three benzimidazole ligands coordinate to the CoII atom with a distorted octahedral geometry. The maleate dianions bridge neighbouring CoII atoms via both terminal carboxylic acid groups, one of which is monodentate and the other bidentate, to form a helical structure of alternating maleate dianions and CoII atoms, with a pitch height of 9.2667 (17) Å. The absolute structure has been determined, and the crystal contains only right‐handed helices. Intrahelical N—H⋯O hydrogen bonds stabilize the helical structure, while interhelical N—H⋯O hydrogen bonds link neighbouring helices to form the supramolecular structure. 相似文献
15.
Jos Mahía Miguel A. Maestro Miguel Vzquez Manuel R. Bermejo Ana M. Gonzlez Marcelino Maneiro 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(3):347-348
The structure of the title compound, C30H30N4O4S2, is highly conditioned in the solid state by two strong N—H?N interactions. The values of the distances between the aminic N atoms [5.865 (3) Å] and the iminic N atoms [2.930 (4) Å], in conjunction with the long distance between the S atoms of the two tosyl groups [7.673 (1) Å], suggest that when the molecule acts as a ligand it will provide a single cavity for N4 coordination to the metal centre. 相似文献
16.
Ulrich Lüning Christine Kühl Michael Bolte 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(8):989-990
The title compound, C15H20N4O, has been synthesized as an AADD recognition unit for quadruple hydrogen bonds. All non‐H atoms of the molecule apart from two methyl groups of the tert‐butyl group lie in a common plane. An intramolecular hydrogen bond is formed connecting two N atoms. In the solid state, the title compound crystallizes as a centrosymmetric dimer connected by N—H?O=C interactions with an N?O distance of 2.824 (2) Å. 相似文献
17.
K. C. Kumara Swamy Musa A. Said 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):491-492
In the molecular structure of the title compound, C6H14N+·C12H10O4P?, three O atoms are bonded to phosphorus. The oxygen connected to the biphenoxy residue is not involved in hydrogen bonding; of the other two, one oxygen is involved in intermolecular hydrogen bonding to an N—H group as well as the O—H group of the biphenoxy residue, while the second oxygen is involved in hydrogen bonding to two N—H groups. 相似文献
18.
Qian Qiao Guo‐Qiang Wu Tian‐Di Tang Seik Weng Ng 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(4):m146-m148
In the title PbII coordination polymer, [Pb(C16H10O4)(C14H8N4)(C3H7NO)]n, each PbII atom is eight‐coordinated by two chelating N atoms from one pyrazino[2,3‐f][1,10]phenanthroline (L) ligand, one dimethylformamide (DMF) O atom and five carboxylate O atoms from three different 4,4′‐ethylenedibenzoate (eedb) ligands. The eedb dianions bridge neighbouring PbII centres through four typical Pb—O bonds and one longer Pb—O interaction to form a two‐dimensional structure. The C atoms from the L and eedb ligands form C—H...O hydrogen bonds with the O atoms of eedb and DMF ligands, which further stabilize the structure. The title compound is the first PbII coordination polymer incorporating the L ligand. 相似文献
19.
Tomohiro Matsumoto Taisuke Matsumoto Masataka Watanabe Shuntaro Mataka Thies Thiemann 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):o501-o502
In the title compound, C21H25N3O, the six‐membered ring that is fused to two other six‐membered rings in the estrane moiety adopts an envelope conformation. The compound shows intermolecular hydrogen bonding of the amine group to an N atom of the pyrimidine moiety, as well as weak intermolecular interactions involving H atoms in the hydrophobic residue of the molecule. 相似文献
20.
Juan Granifo Beatriz Arvalo Rubn Gavio Sebastin Surez Ricardo Baggio 《Acta Crystallographica. Section C, Structural Chemistry》2016,72(12):932-938
4′‐Substituted derivatives of 2,2′:6′,2′′‐terpyridine with N‐containing heteroaromatic substituents, such as pyridyl groups, might be able to coordinate metal centres through the extra N‐donor atom, in addition to the chelating terpyridine N atoms. The incorporation of these peripheral N‐donor sites would also allow for the diversification of the types of noncovalent interactions present, such as hydrogen bonding and π–π stacking. The title compound, C24H16N4, consists of a 2,2′:6′,2′′‐terpyridine nucleus (tpy), with a pendant isoquinoline group (isq) bound at the central pyridine (py) ring. The tpy nucleus deviates slightly from planarity, with interplanar angles between the lateral and central py rings in the range 2.24 (7)–7.90 (7)°, while the isq group is rotated significantly [by 46.57 (6)°] out of this planar scheme, associated with a short Htpy…Hisq contact of 2.32 Å. There are no strong noncovalent interactions in the structure, the main ones being of the π–π and C—H…π types, giving rise to columnar arrays along [001], further linked by C—H…N hydrogen bonds into a three‐dimensional supramolecular structure. An Atoms In Molecules (AIM) analysis of the noncovalent interactions provided illuminating results, and while confirming the bonding character for all those interactions unquestionable from a geometrical point of view, it also provided answers for some cases where geometric parameters are not informative, in particular, the short Htpy…Hisq contact of 2.32 Å to which AIM ascribed an attractive character. 相似文献