共查询到20条相似文献,搜索用时 15 毫秒
1.
Mohammed Bakir 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(2):m74-m76
The ReI centre in the title compound, [Re(C11H9N2O2)(CO)3] or fac‐Re(CO)3(dpkO,OH) [dpkO,OH is hydroxybis(2‐pyridyl)methanolato], (I), is in a pseudo‐octahedral environment in which the major distortion is due to the constraints associated with the tridentate binding of the dpkO,OH anion. The carbonyl groups are orthogonal, with an average C—Re—C angle of 90.2 (3)°. The molecules pack in stacks of antiparallel tapes of (I) interlocked via a network of hydrogen bonds. 相似文献
2.
Jia‐Xiang Yang Yu‐Peng Tian Qing‐Liang Liu Yong‐Shu Xie Hoong‐Kun Fun Suchada Chantrapromma Ibrahim Abdul Razak 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):m43-m44
In the title compound, [Fe(C5H5)(C16H12N3OS)], the 8‐aminoquinoline and acylthiourea moieties are almost planar. There are two perpendicular arrangements of the molecules in the crystal with slightly different conformations. The two cyclopentadienyl rings in each molecule are parallel and eclipsed. 相似文献
3.
Arno Kraft Lars Peters Roland Frhlich 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(5):o272-o274
The crystal structure of the title 2:1 salt of tetrazole and a substituted terephthalamidine, C16H28N42+·2CHN4?, contains an infinite network of hydrogen bonds, with short N?N distances of 2.820 (2) and 2.8585 (19) Å between the tetrazolate anion and the amidinium cation. Involvement of the lateral N atoms of the tetrazole in the hydrogen bonding appears to be a typical binding pattern for the tetrazolate anion. 相似文献
4.
Jaromír Marek Pavel Kopel Zdenk Trvní
ek 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(12):m558-m560
In the crystal structure of the title compound, [N,N′‐bis(3‐aminopropyl)ethylenediamine‐κ4N,N′,N′′,N′′′][1,3,5‐triazine‐2,4,6(1H,3H,5H)‐trithionato(2−)‐κ2N,S]zinc(II) ethanol solvate, [Zn(C8H22N4)2(C3HN3S3)]·C2H6O, the ZnII atom is octahedrally coordinated by four N atoms [Zn—N = 2.104 (2)–2.203 (2) Å] of a tetradentate N‐donor N,N′‐bis(3‐aminopropyl)ethylenediamine (bapen) ligand and by two S and N atoms [Zn—S = 2.5700 (7) Å and Zn—N = 2.313 (2) Å] of a trithiocyanurate(2−) (ttcH2−) dianion bonded as a bidentate ligand in a cis configuration. The crystal structure of the compound is stabilized by a network of hydrogen bonds. 相似文献
5.
Dominique Nanty Marc Laurent Masood A. Khan Michael T. Ashby 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(1):35-36
Reaction of bis(2‐pyridylmethyl) ether with [Mo(CO)3(MeCN)3] in MeCN gives the title compound, [Mo(C12H12‐N2O)(CO)3], (I), as a yellow crystalline product. Compound (I) has been characterized by 1H NMR and IR spectroscopy, and single‐crystal X‐ray crystallography. In contrast with other examples of low‐valent early transition metal complexes of ethers, the ether linkage of (I) appears relatively inert. Nevertheless, the weak donor property of the ether ligand is evidenced by a trans effect manifested as a short Mo—CO bond length for the carbonyl ligand trans to the ether ligand. 相似文献
6.
Paul A. Maggard Amy L. Kopf Charlotte L. Stern Kenneth R. Poeppelmeier 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(4):m207-m209
The title compound, [Cu(Cr2O7)(C10H8N2)2], a new mixed‐metal molecular compound, contains isolated molecular units, each comprised of one CuII atom coordinated to two 2,2′‐bipyridine ligands and also to an oxygen vertex of a dichromate anion. The CuII atom has an approximate trigonal–bipyramidal geometry, which is consistent with previous studies. Both enantiomers of the chiral complex molecule are present and are related by inversion centers. In a reported pyridine analogue, achiral [Cu(Cr2O7)(pyridine)4] chains pack in the non‐centrosymmetric space group Pna21. Differences in the organic ligands influence the chirality and dimensionality of the Cu—Cr2O7 bonding. 相似文献
7.
Xiaofeng Zhang Deguang Huang Wenguo Wang Changneng Chen Qiutian Liu 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(4):m268-m269
The crystal structure of the title compound, [Mn(NO3)(C10H8N2)(H2O)3]NO3, contains a monomeric [Mn(NO3)(bpy)(H2O)3]+ cation (bpy is 2,2′‐bipyridine) and a nitrate anion. The MnII ion is coordinated by one chelating bpy [Mn—N 2.241 (3) and 2.259 (3) Å], three water molecules [Mn—O 2.120 (3)–2.188 (3) Å] and a nitrate ligand [Mn—O 2.228 (2) Å] in a distorted octahedral geometry. There are O?H—O hydrogen‐bonding interactions between the ligated water molecules and the ligated and unligated nitrate anions, resulting in double columns of stacked cations and anions. 相似文献
8.
Qingli Hao Hoong‐Kun Fun Suchada Chantrapromma Ibrahim Abdul Razak Fangfang Jian Xujie Yang Lude Lu Xin Wang 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(6):717-718
The title coordination complex, [Ni(C14H14O2PS2)2(C12H8N2)] or [Ni(pMePh‐dtp)2(phen)] (phen is 1,10‐phenanthroline; dtp is diaryldithiophosphate), has a non‐crystallographic twofold axis of symmetry through the Ni atom and the phen moiety. Two O,O‐di‐p‐tolyldithiophosphate (dtp) ions act as bidentate ligands. The central metal atom is coordinated by four S atoms from two dtp groups and two N atoms from the phen ligand. The title compound displays distorted octahedral geometry around the central Ni atom. 相似文献
9.
Hui‐Hua Xu Xian Tao Yue‐Qin Li Ying‐Zhong Shen Yan‐Hong Wei 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(4):m93-m95
The title compound, [Zn2(C25H15N5O2)2]·2CH2Cl2, is a dinuclear double‐helical complex which lies on a crystallographic twofold axis. In the complex, both ligands are partitioned into two tridentate domains which allow each ligand to bridge both metal centres. Each ZnII atom is six‐coordinated in a distorted octahedral environment formed by two amide N atoms, two quinoline N atoms and two pyridine N atoms from two different ligand molecules, with the central pyridine ring, unusually, bridging two ZnII atoms. The deprotonated ligand is not planar, the amide side chains being considerably twisted out from the plane of the central pyridine ring. 相似文献
10.
Ken Sakai Yoshinobu Miyabe 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(2):m69-m72
In the title compound, [Ru(C10H8N2)2(C12H8N2)][Pt(CN)4], cations and anions alternate along the a axis to afford a one‐dimensional network. The one‐dimensional character arises from the π–π stacking as well as from the electrostatic interactions formed between the phen (1,10‐phenanthroline) and [Pt(CN)4]2− units. Two adjacent one‐dimensional chains form further stacks based on the π–π stacking interactions between the phen moieties, where the interplanar spacing is 3.50 (1) Å. 相似文献
11.
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
12.
Teshica Chatturgoon Matthew P. Akerman 《Acta Crystallographica. Section C, Structural Chemistry》2016,72(3):234-238
The application of transition metal chelates as chemotherapeutic agents has the advantage that they can be used as a scaffold around which ligands with DNA recognition elements can be anchored. The facile substitution of these components allows for the DNA recognition and binding properties of the metal chelates to be tuned. Copper is a particularly interesting choice for the development of novel metallodrugs as it is an endogenous metal and is therefore less toxic than other transition metals. The title compound, [Cu(C16H11N2O)2], was synthesized by reacting N‐(quinolin‐8‐yl)benzamide and the metal in a 2:1 ratio. Ligand coordination required deprotonation of the amide N—H group and the isolated complex is therefore neutral. The metal ion adopts a flattened tetrahedral coordination geometry with the ligands in a pseudo‐trans configuration. The free rotation afforded by the formal single bond between the amide group and phenyl ring allows the phenyl rings to rotate out‐of‐plane, thus alleviating nonbonded repulsion between the phenyl rings and the quinolyl groups within the complex. Weak C—H…O interactions stabilize a dimer in the solid state. Density functional theory (DFT) simulations at the PBE/6‐311G(dp) level of theory show that the solid‐state structure (C1 symmetry) is 79.33 kJ mol−1 higher in energy than the lowest energy gas‐phase structure (C2 symmetry). Natural bond orbital (NBO) analysis offers an explanation for the formation of the C—H…O interactions in electrostatic terms, but the stabilizing effect is insufficient to support the dimer in the gas phase. 相似文献
13.
Cheng‐Bing Ma Chang‐Neng Chen Qiu‐Tian Liu 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(10):m469-m472
In the title compound, [Mn(C7H3NO4)(C3H4N2)(C12H8N2)(H2O)], the MnII centre is surrounded by one bidentate phenanthroline ligand [Mn—N = 2.383 (3) and 2.421 (3) Å], one tridentate dipicolinate ligand [Mn—N = 2.300 (3) Å, and Mn—O = 2.300 (2) and 2.357 (2) Å], one monodentate imidazole ligand [Mn—N = 2.238 (3) Å] and one water molecule [Mn—O = 2.157 (3) Å]. It displays a distorted pentagonal‐bipyramidal geometry, with neighbouring angles within the equatorial plane ranging from 68.05 (9) to 77.48 (10)°. Intermolecular O—H...O hydrogen bonds link the molecules into infinite chains. The chains are crosslinked by hydrogen bonds involving the carboxyl O atoms of the dipicolinate ligand and the protonated imidazole N atom, leading to an infinite two‐dimensional network sheet packing mode. The complete solid‐state structure can be described as a three‐dimensional supramolecular framework, stabilized by these intermolecular hydrogen‐bonding interactions and π–π stacking interactions involving the phenanthroline rings. 相似文献
14.
Gururaj M. Neelgund S. A. Shivashankar T. Narasimhamurthy R. S. Rathore 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(2):m74-m76
The title compound, [Er(C5H7O2)3(C12H8N2)], is a mixed‐ligand metal–organic precursor for chemical vapour deposition, with the Er atom being eight‐coordinate. The coordination polyhedron, described as a distorted square antiprism, is formed by three bidentate (chelating) acetylacetonate residues and a phenanthroline ligand in the apical positions. Molecular assembly via C—H⋯O hydrogen bonds generates a sheet structure in the ac plane. Weak co‐operative C—H⋯π interactions form molecular dimers and contribute to the stability of the intersheet packing. The supramolecular assembly contains voids which form hydrophobic porous channels, surrounded by a cluster of dimers. 相似文献
15.
Wei Sun Yan‐Tuan Li Zhi‐Yong Wu Shu‐Fang Zhang Zhi‐Wei Yin 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(3):m108-m110
In the crystal structure of the title complex, [Cu2(C10H20N4O2)(C10H8N2)2](ClO4)2, the deprotonated dmaeoxd2− ligand {H2dmaeoxd is N,N′‐bis[2‐(dimethylamino)ethyl]oxamide} occupies an inversion centre at the mid‐point of the central C—C bond and is thus in a trans conformation. The two CuII atoms are located in slightly distorted square‐based pyramidal environments. The binuclear units interact with each other viaπ–π interactions to form a one‐dimensional chain extending in the c direction. 相似文献
16.
Giuseppe Bruno Santo Lanza Francesco Nicol Giuseppe Tresoldi Giuseppe Rosace 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(10):o608-o609
The title compound, alternatively known as N,N′‐dibenzylethanedithioamide, C16H16N2S2, lies about an inversion centre and contains a planar trans‐dithiooxamide fragment characterized by a strong intramolecular hydrogen bond between the S atom and the adjacent amide H atom in the solid state, with an S?N distance of 2.926 (1) Å. The aryl substituent is oriented orthogonal to the mean plane of the trans‐dithiooxamide fragment due to steric hindrance and this effect is discussed. 相似文献
17.
Mireille Perec Ricardo Baggio 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(5):m140-m144
The title copper complex, [Cu(H2P2O7)(C15H11N3)]2·4.5H2O, consists of two very similar independent Cu(Tpy)H2P2O7 monomeric units (Tpy is 2,2′:6′,2′′‐terpyridine) plus four and a half water molecules of hydration, some of which are disordered. Tpy units bind through the usual triple bite via their N atoms, and the H2P2O72− anions coordinate through two O atoms from two different phosphate units. Each independent CuN3O2 chromophore can be described as a slightly deformed square pyramid, with one of them having a sixth, semicoordinated, O atom from a centrosymmetrically related CuN3O2 unit in a weakly bound second apical position suggesting an octahedral environment for the cation and weak dimerization of the molecule. The two independent complex molecules are connected via two strong O—H...O interactions between the phosphate groups to form hydrogen‐bonded dinuclear units, further linked into [111] columns, resulting in a very complex three‐dimensional supramolecular structure through a variety of classical and nonclassical hydrogen bonds, as well as π–π interactions. 相似文献
18.
Ahmet Bulut brahim Uar Okan Zafer Yeilel Hasan budak Halis
lmez Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(10):m526-m528
The title mononuclear [Cu(sq)(phen)2]·3H2O complex [sq is squarate (C4O4) and phen is 1,10‐phenanthroline (C12H8N2)] has been synthesized and the structure consists of a neutral mononuclear [Cu(sq)(phen)2] unit and three solvate water molecules. The CuII ion has distorted square‐pyramidal coordination geometry, comprised of one carboxylate O atom from a monodentate squarate ligand and four N atoms from two chelating phen ligands. An extensive three‐dimensional network of OW—H⋯O/OW hydrogen bonds, face‐to‐face π–π interactions between the 1,10‐phenanthroline aromatic rings and a weak π–ring interaction are responsible for crystal stabilization. 相似文献
19.
Alvaro S. de Sousa Zanele Hlam Manuel A. Fernandes Helder M. Marques 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(11):o553-o556
The achiral meso form of the title compound, C18H38N2O42+·2Cl−, crystallizes to form undulating layers consisting of chains linked via weak hydroxyalkyl C—H...Cl contacts. The chains are characterized by centrosymmetric hydrogen‐bonded dimers generated via N—H...Cl and hydroxycycloalkyl O—H...Cl interactions. trans‐N‐Alkyl bridges subdivide the chains into hydrophilic segments flanked by hydrophobic cycloalkyl stacks along [001]. 相似文献
20.
Takayoshi Suzuki Masahiro Ogita Sumio Kaizaki 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(5):532-533
The complex cation in the title compound, [Co(C5H7O2)2(C9H20N2)(C18H15P)]PF6·CH2Cl2, is the first example of a CoIII complex in which a trans configuration for the coordinated monodentate phosphine and amine ligands has been confirmed by X‐ray analysis. Owing to the large steric bulkiness of the axial PPh3 ligands influencing the interaction with the equatorial acetylacetonate ligands, the acetylacetonate planes bend away considerably from the PPh3 ligands. 相似文献