共查询到20条相似文献,搜索用时 15 毫秒
1.
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
2.
Md. Badruz Zaman Matthew J. Davis Mark D. Smith Hans‐Conrad zur Loye 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(6):m234-m236
Two twisted 1,2‐bis(2‐pyridyl)ethyne ligands bridge two Cd2+ centers in the C2‐symmetric title complex, [Cd2(NO3)4(μ‐C12H8N2)2(H2O)2]. The bridging ligands arch across one another creating a `zigzag loop' molecular geometry. Two nitrate ions and a water molecule complete the irregular seven‐coordinate Cd‐atom environment. The dihedral angles between the equivalent pyridyl ring planes of the two independent ligands are 67.2 (1)°. Owater—H⃛Onitrate hydrogen bonding creates two‐dimensional layers parallel to the ab plane. 相似文献
3.
Yi‐Ping Guo Dong‐Ying Li Guo‐Ting Li 《Acta Crystallographica. Section C, Structural Chemistry》2012,68(10):m284-m286
In the title compound, {[NiCl2(C19H17N5O2)2]·4C3H7NO}n, the NiII atom is located on an inversion centre and is in a six‐coordinated octahedral geometry, formed by four pyridine N atoms from four N2,N6‐bis[(pyridin‐3‐yl)methyl]pyridine‐2,6‐dicarboxamide (BPDA) ligands occupying the equatorial plane and two chloride anions at the axial sites. The bidentate bridging BPDA ligands link the NiII atoms into a two‐dimensional corrugated grid‐like flexible layer with a (4,4)‐connected topology, which consists of left‐ and right‐handed helical chains sharing the common NiII atoms. Investigation of the thermal stability shows that the network is stable up to 573 K. 相似文献
4.
Ya‐Qin Wang Fa‐Zhi Xie Lin Du 《Acta Crystallographica. Section C, Structural Chemistry》2013,69(6):577-580
A novel metal–organic framework, {[Zn2Cl4(C25H24N4O4)]·4C3H7NO}n, has been synthesized solvothermally by assembling the semi‐rigid tetrahedral ligand tetrakis[(pyridin‐4‐yl)oxymethyl]methane (tpom) and zinc nitrate in dimethylformamide (DMF). The crystal structure is noncentrosymmetric (P21c). Each ZnII cation has a tetrahedral coordination environment (C2 symmetry), which is formed by two chloride ligands and two pyridine N atoms from two tpom ligands. The tetrahedral tetradentate tpom linker has a quaternary C atom located on the crystallographic axis. This linker utilizes all the peripheral pyridine N atoms to connect four ZnII cations, thereby forming a wave‐like two‐dimensional sheet along the c axis. The two‐dimensional layer can be topologically simplified as a typical uninodal 4‐connected sql/Shubnikov net, which is represented by the Schläfli symbol {44,62}. Adjacent layers are further packed into a three‐dimensional structure by C—H...Cl hydrogen bonds. 相似文献
5.
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
6.
Tomislav Fri
i Alan J. Lough George Ferguson Branko Kaitner 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(5):m313-m315
The title dimeric complex, bis{μ‐2,2′‐[hexane‐1,6‐diylbis(nitrilomethylidyne)]diphenolato‐1:2κ4O,N:N′,O′}dicopper(II),[Cu2(C20H22N2O2)2], has been investigated by single‐crystal X‐ray diffraction, by thermogravimetric analysis and differential scanning calorimetry, and also by FT–IR spectroscopy. Different synthetic and crystallization procedures gave crystals which were quite different in appearance, and it was initially thought that these were different polymorphic forms. Subsequent structure determination showed, in fact, serendipitous preparation of crystals in the P41 space group by one method and in space group P43 by the other. In these enantiomorphic structures, the Cu atoms have a distorted flattened tetrahedral coordination, with Cu—N and Cu—O distances in the ranges 1.954 (4)–1.983 (4) and 1.887 (4)–1.903 (4) Å, respectively. 相似文献
7.
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
8.
Duncan A. J. Harding Eric G. Hope Gregory A. Solan John Fawcett 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(8):m383-m384
In the crystal structure of the title compound, [RuF2(C26H24P2)2]·2CHCl3, the Ru atom lies on a centre of symmetry with a trans arrangement of the F atoms. A H...F contact (2.249 Å) suggests weak intramolecular hydrogen bonding. The solvent molecules exhibit hydrogen bonding with the F atoms (H...F = 1.91 Å). 相似文献
9.
Vitalie Stavila Ion Bulimestru Aurelian Gulea Adam C. Colson Kenton H. Whitmire 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(3):m65-m68
The title complexes, hexaaquacobalt(II) bis(μ‐pyridine‐2,6‐dicarboxylato)bis[(pyridine‐2,6‐dicarboxylato)bismuthate(III)] dihydrate, [Co(H2O)6][Bi2(C7H4NO4)4]·2H2O, (I), and hexaaquanickel(II) bis(μ‐pyridine‐2,6‐dicarboxylato)bis[(pyridine‐2,6‐dicarboxylato)bismuthate(III)] dihydrate, [Ni(H2O)6][Bi2(C7H4NO4)4]·2H2O, (II), are isomorphous and crystallize in the triclinic space group P. The transition metal ions are located on the inversion centre and adopt slightly distorted MO6 (M = Co or Ni) octahedral geometries. Two [Bi(pydc)2]− units (pydc is pyridine‐2,6‐dicarboxylate) are linked via bridging carboxylate groups into centrosymmetric [Bi2(pydc)4]2− dianions. The crystal packing reveals that the [M(H2O)6]2+ cations, [Bi2(pydc)4]2− anions and solvent water molecules form multiple hydrogen bonds to generate a supramolecular three‐dimensional network. The formation of secondary Bi...O bonds between adjacent [Bi2(pydc)4]2− dimers provides an additional supramolecular synthon that directs and facilitates the crystal packing of both (I) and (II). 相似文献
10.
The complex [Cu(nitroca2ph)2]ClO4, where nitroca2ph is N,N′‐bis(2‐nitrocinnamaldehyde)phenylenediimine, crystallizes in the triclinic space group with a = 13.167(1), b = 13.209(1), c = 14.465(1) Å, α = 83.209(9)°, β = 68.438(2)°, γ = 70.803(2)°, V = 2209.4(3) Å3, Z = 2, Dcalc = 1.527 mg/m3. The coordination polyhedron about the Cu(I) atom is best described as a distorted tetrahedron. 2‐nitroca2en acts as a bidentate ligand coordinating via two N atoms to the copper. The four Cu–N distances are 2.04 (2), 2.038(2), 2.046(2), and 2.062(2) Å. 相似文献
11.
Yong Cui Jiutong Chen Gang Chen Jing Ren Weichao Yu Yitai Qian 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):349-351
A novel centrosymmetric chair‐like dimer, bis(2,2′‐bipyridine)‐1κ2N,N′;3κ2N,N′‐tetra‐μ‐chloro‐1:2κ2Cl;2:3κ2Cl;3:4κ2Cl;1:4κ2Cl‐tetracopper(I), [Cu4Cl4(C10H8N2)2], has been solvothermally synthesized and structurally characterized. The complex self‐assembles into a three‐dimensional network via C—H?Cl hydrogen bonds, π–π stacking and weak Cu?Cl electrostatic interactions. 相似文献
12.
Cornelis Lensink Graeme J. Gainsford Neville I. Baxter 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):368-369
The title compound, [Ti2(CF3O3S)4(C14H15NO2S)2]·2CH2Cl2, consists of unique centrosymmetric dimers, with an eight‐membered ring derived from the monomer subunits by formation of two Ti—(N,O)—S—O head‐to‐tail sequences around a crystallographic inversion centre, and two ordered dichloromethane solvate molecules. The Ti ion has distorted octahedral coordination, through the N atom and one O atom of one p‐toluenesulfonamido group linked by an ethyl group to the bound cyclopentadiene moiety, one O atom from the other p‐toluenesulfonamido group and two singly bound trifluoromethanesulfonates moieties which are coordinated in pseudo‐cis positions. Both Ti—O(sulfonamido) bond lengths [2.149 (3) and 2.388 (3) Å] are considered bonding interactions. 相似文献
13.
Taichi Abe Kazuteru Shinozaki Noriaki Ikeda Takayoshi Suzuki 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(10):m456-m458
In the title compound, [Pt(C18H15N2)Cl], the PtII centre adopts a distorted square‐planar coordination geometry due to the pincer‐type monoanionic N–C–N tridentate ligand. The planar complexes stack viaπ–π interactions to form two‐dimensional accumulated sheets. This packing pattern is in contrast to that in related pincer‐type N–C–N complexes, which exhibit a one‐dimensional columnar stacking. 相似文献
14.
In the title compound, {[Zn(C19H17N5O2)2(H2O)2](NO3)2}n, the ZnII cation is located at an inversion centre within a slightly distorted octahedron, ligated by four N atoms from four N2,N6‐bis[(pyridin‐3‐yl)methyl]pyridine‐2,6‐dicarboxamide (L) ligands occupying a plane about the ZnII atom with the two water O atoms perpendicular to that. In the complex molecule, the bidentate bridging L ligands display helical R and S conformers, and link the ZnII cations into a one‐dimensional centrosymmetric double‐chain structure containing 32‐membered rings. The nitrate anions reside in these rings and are involved in multiple N—H...O hydrogen‐bond interactions. On excitation at 390 nm, the title compound displays a strong blue emission centred at 449 nm. Investigation of the thermal stability shows that the network structure is stable up to 420 K. 相似文献
15.
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
16.
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
17.
Xia Yin Weiguang Zhang Jun Fan Feng Xian Wei Chian Sing Lai Edward R. T. Tiekink 《应用有机金属化学》2003,17(11):889-890
The centrosymmetric structure of {Zn[S2CN(CH2Ph)2]2}2(4,4′‐bipy) features chelating dithiocarbamate ligands so that a trigonal bipyramidal NS4 coordination geometry for zinc results. Copyright © 2003 John Wiley & Sons, Ltd. 相似文献
18.
Yi‐Ping Guo Hui Wang Guo‐Ting Li 《Acta Crystallographica. Section C, Structural Chemistry》2013,69(8):872-875
In the title compound, [Pb(C12H8NO2)2]n, the Pb atom sits on a crystallographic C2 axis and is six‐coordinate, ligated by two chelating carboxylate groups from two 3‐(pyridin‐4‐yl)benzoate (L) ligands and by two N atoms from another two ligands. Each ligand bridges two PbII centres, extending the structure into a corrugated two‐dimensional (4,4) net. The ligand L is conformationally chiral, with a torsion angle of 27.9 (12)° between the planes of its two rings. The torsion angle has the same sense throughout the structure, so that the extended two‐dimensional polymer is homochiral. Investigation of the thermal stability shows that the network is stable up to 613 K. In the absence of any stereoselective factor in the preparation of the compound, the enantiomeric purity of the crystal studied, based only on the torsional conformation of the ligand, implies that the bulk sample is a racemic conglomerate. 相似文献
19.
Norah Maithufi Stefanus Otto 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(8):m279-m283
Orange crystals of bis(acetonitrile‐κN)bis[N,N‐bis(diphenylphosphanyl)ethanamine‐κ2P,P′]iron(II) tetrabromidoferrate(II), [Fe(CH3CN)2(C26H25NP2)2][FeBr4], (I), and red crystals of bis(acetonitrile‐κN)bis[N,N‐bis(diphenylphosphanyl)ethanamine‐κ2P,P′]iron(II) μ‐oxido‐bis[tribromidoferrate(III)], [Fe(CH3CN)2(C26H25NP2)2][Fe2Br6O], (II), were obtained from the same solution after prolonged exposure to atmospheric oxygen, resulting in partial oxidation of the [FeBr4]2− anion to the [Br3FeOFeBr3]2− anion. The asymmetric unit of (I) consists of three independent cations, one on a general position and two on inversion centres, with two anions, required to balance the charge, located on general positions. The asymmetric unit of (II) consists of two independent cations and two anions, all on special positions. The geometric parameters within the coordination environments of the cations do not differ significantly, with the major differences being in the orientation of the phenyl rings on the bidentate phosphane ligand. The ethyl substituent in the cation of (II) and the Br atoms in the anions of (II) are disordered. The P—Fe—P bite angles represent the smallest angles reported to date for octahedral FeII complexes containing bidentate phosphine ligands with MeCN in the axial positions, ranging from 70.82 (3) to 70.98 (4)°. The average Fe—Br bond distances of 2.46 (2) and 2.36 (2) Å in the [FeBr4]2− and [Br3FeOFeBr3]2− anions, respectively, illustrate the differences in the Fe oxidation states. 相似文献
20.
Ana María García Jorge Manzur Andrs Vega 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(7):m335-m337
The title compund, [Cu2(OH)2(C22H25N3)2](ClO4)2, is a copper(II) dimer, with two [CuL]2+ units [L is bis(6‐methyl‐2‐pyridylmethyl)(2‐phenylethyl)amine] bridged by hydroxide groups to define the {[CuL](μ‐OH)2[CuL]}2+ cation. Charge balance is provided by perchlorate counter‐anions. The cation has a crystallographic inversion centre halfway between the CuII ions, which are separated by 3.0161 (8) Å. The central core of the cation is an almost regular Cu2O2 parallelogram of sides 1.931 (2) and 1.935 (2) Å, with a Cu—O—Cu angle of 102.55 (11)°. The coordination geometry around each CuII centre can be best described as a square‐based pyramid, with three N atoms from L ligands and two hydroxide O atoms completing the coordination environment. Each cationic unit is hydrogen bonded to two perchlorate anions by means of hydroxide–perchlorate O—H...O interactions. 相似文献