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1.
Yoshiki Ohgo Saburo Neya Takahisa Ikeue Noriaki Funasaki Mikio Nakamura 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(9):1046-1047
The X‐ray crystallographic analysis of the title complex, chloro[3,10,13,20‐tetraethyl‐4,9,14,19‐tetramethylpentacyclo[16.2.1.12,5.18,11.112,15]tetracosa‐2,4,6,8(23),9,12,14,16,18(21),19‐decaene]iron(III) chloroform solvate, [Fe(C33H37N4)Cl]·CHCl3, reveals a twisted macrocyclic framework with a slightly distorted rectangular pyramidal core, where the deviation of the central FeIII atom from the least‐squares plane of the C20N4 core is 0.594 (1) Å. Some important bond distances are as follows: Fe—N 2.019 (3), 2.026 (3), 2.028 (3) and 2.034 (3) Å; Fe—Cl 2.232 (1) Å. 相似文献
2.
Fangfang Jian Ying Wang Lude Lu Xujie Yang Xin Wang Suchada Chantrapromma Hoong‐Kun Fun Ibrahim Abdul Razak 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(6):714-716
The crystal structures of tris(2‐methylquinolin‐8‐olato‐N,O)iron(III), [Fe(C10H8NO)3], (I), and aquabis(2‐methylquinolin‐8‐olato‐N,O)copper(II), [Cu(C10H8NO)2(H2O)], (II), have been determined. Compound (I) has a distorted octahedral configuration, in which the central Fe atom is coordinated by three N atoms and three O atoms from three 2‐methylquinolin‐8‐olate ligands. The three Fe—O bond distances are in the range 1.934 (2)–1.947 (2) Å, while the three Fe—N bond distances range from 2.204 (2) to 2.405 (2) Å. In compound (II), the central CuII atom and H2O group lie on the crystallographic twofold axis and the coordination geometry of the CuII atom is close to trigonal bipyramidal, with the three O atoms in the basal plane and the two N atoms in apical positions. The Cu—N bond length is 2.018 (5) Å. The Cu—O bond length in the basal positions is 1.991 (4) Å, while the Cu—O bond length in the apical position is 2.273 (6) Å. There is an intermolecular OW—H?O hydrogen bond which links the molecules into a linear chain along the b axis. 相似文献
3.
Yun‐Ling Gao Xiao‐Jun Peng Shi‐Guo Sun Chang‐Neng Chen 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(1):m13-m15
The novel μ‐oxo‐diiron complex [Fe2O(BPHPA)2](ClO4)4 [BPHPA is (6‐hydroxymethyl‐2‐pyridylmethyl)bis(2‐pyridylmethyl)amine, C19H20N4O], contains a binuclear centrosymmetric [Fe2O(BPHPA)2]4+ cation (the bridging O atom lies on an inversion centre) and four perchlorate anions. Each iron ion is coordinated by four N atoms [Fe—N = 2.117 (5)–2.196 (5) Å] and one O atom [Fe—O = 2.052 (5) Å] from a BPHPA ligand, and by one bridging oxo atom [Fe—O = 1.7896 (9) Å], forming a distorted octahedron. There are hydrogen bonds between the hydroxy group and perchlorate O atoms [O—H·O = 2.654 (7) Å]. 相似文献
4.
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
5.
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
6.
Yoshio Wada Nobuo Okabe Yasunori Muranishi 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(10):m511-m513
In trans‐bis(5‐n‐butylpyridine‐2‐carboxylato‐κ2N,O)bis(methanol‐κO)copper(II), [Cu(C10H12NO2)2(CH4O)2], the Cu atom lies on a centre of symmetry and has a distorted octahedral coordination. The Cu—O(methanol) bond length in the axial direction is 2.596 (3) Å, which is much longer than the Cu—O(carboxylate) and Cu—N distances in the equatorial plane [1.952 (2) and 1.977 (2) Å, respectively]. In mer‐tris(5‐n‐butylpyridine‐2‐carboxylato‐κ2N,O)iron(III), [Fe(C10H12NO2)3], the Fe atom also has a distorted octahedral geometry, with Fe—O and Fe—N bond‐length ranges of 1.949 (4)–1.970 (4) and 2.116 (5)–2.161 (5) Å, respectively. Both crystals are stabilized by stacking interactions of the 5‐n‐butylpyridine‐2‐carboxylate ligand, although hydrogen bonds also contribute to the stabilization of the copper(II) complex. 相似文献
7.
B. de Castro C. Freire M. Teresa Duarte M. F. Minas da Piedade I. C. Santos 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):370-372
In the title complex, trans‐{2,2′‐[cyclohexane‐1,2‐diylbis(nitrilomethylidyne)]diphenolato‐κ4O,N,N′,O′}nickel(II)–chloroform (1/1), [Ni(C20H20N2O2)]·CHCl3, the Ni atom has a square‐planar geometry, slightly tetrahedrally distorted. The Ni—N and Ni—O bonding distances are within the expected ranges for Ni–Schiff base derivatives. The diimine bridge has a gauche conformation with the cyclohexyl ring almost coplanar with the NiN2O2 plane. The complex molecules pack in dimers with an Ni?Ni distance of 3.59 (1) Å and form a three‐dimensional structure displaying a herring‐bone configuration. Channels are occupied by solvent molecules, which are involved in C—H?O hydrogen bonds with the ligand O atoms. 相似文献
8.
Ming‐Liang Tong Xiao‐Ming Chen Seik Weng Ng 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(9):m481-m482
In the title compound {alternative name: poly[silver(I)‐μ‐(3‐amino‐2‐chloropyridine)‐μ‐nitrato]}, [Ag(NO3)(C5H5ClN2)]n the AgI atom is in an irregular AgN2O3 geometry, surrounded by one pyridyl N atom [Ag—N 2.283 (5) Å], one amine N atom [Ag—N 2.364 (6) Å] and three O atoms from different nitrate ions [Ag—O 2.510 (6)–2.707 (6) Å]. The Ag ions are bridged by the 3‐amino‐2‐chloropyridine ligands into helical chains. Adjacent uniform chiral chains are further interlinked through the NO3 bridges into an interesting two‐dimensional coordination network in the solid. 相似文献
9.
In catena‐poly[[(di‐2‐pyridylamine‐κ2N,N′)silver(I)]‐μ‐nicotinato‐κ2N:O], [Ag(C6H4NO2)(C10H9N3)]n, the AgI atom is tetracoordinated by two N atoms from the di‐2‐pyridylamine (BPA) ligand [Ag—N = 2.3785 (18) and 2.3298 (18) Å] and by one N atom and one carboxylate O atom from nicotinate ligands [Ag—N = 2.2827 (15) Å and Ag—O = 2.3636 (14) Å]. Bridging by nicotinate N and O atoms generates a polymeric chain structure, which extends along [100]. The carboxyl O atom not bonded to the Ag atom takes part in an intrachain C—H⋯O hydrogen bond, further stabilizing the chain. Pairs of chains are linked by N—H⋯O hydrogen bonds to generate ribbons. There are no π–π interactions in this complex. In catena‐poly[[(di‐2‐pyridylamine‐κ2N,N′)silver(I)]‐μ‐2,6‐dihydroxybenzoato‐κ2O1:O2], [Ag(C7H5O4)(C10H9N3)]n, the AgI atom has a distorted tetrahedral coordination, with three strong bonds to two pyridine N atoms from the BPA ligand [Ag—N = 2.286 (5) and 2.320 (5) Å] and to one carboxylate O atom from the 2,6‐dihydroxybenzoate ligand [Ag—O = 2.222 (4) Å]; the fourth, weaker, Ag‐atom coordination is to one of the phenol O atoms [Ag⋯O = 2.703 (4) Å] of an adjacent moiety, and this interaction generates a polymeric chain along [100]. Pairs of chains are linked about inversion centers by N—H⋯O hydrogen bonds to form ribbons, within which there are π–π interactions. The ribbons are linked about inversion centers by pairs of C—H⋯O hydrogen bonds and additional π–π interactions between inversion‐related pairs of 2,6‐dihydroxybenzoate ligands to generate a three‐dimensional network. 相似文献
10.
Youngmee Kim Wonwoo Nam Mi Hee Lim Sook Won Jin Alan J. Lough Sung‐Jin Kim 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(5):556-557
The crystal structure of the title compound, [Fe(C44H20F8N4)(CH3O)], has been determined. The Fe atom lies 0.485 (1) Å out of the plane of the four N atoms to which it is coordinated and from the inversion centre at the origin of the unit cell. The methoxy group is axially coordinated to the Fe atom with O—Fe—N angles of 106.3 (2) and 102.4 (2)°, a C—O—Fe angle of 128.3 (5)° and an Fe—O distance of 1.788 (5) Å. Difluorophenyl rings are tilted from the porphyrin (por) plane with torsion angles of ?68.1 (6) and 77.7 (5)° across the two Cpor—C—C—Car systems. 相似文献
11.
Chengbing Ma Feng Chen Changneng Chen Qiutian Liu 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(12):m516-m518
In the title compound, [Mn(C5H3N2O4)2(H2O)2], the MnII atom lies on an inversion centre, is trans‐coordinated by two N,O‐bidentate 1H‐imidazole‐4,5‐dicarboxylate monoanionic ligands [Mn—O = 2.202 (3) Å and Mn—N = 2.201 (4) Å] and two water molecules [Mn—O = 2.197 (4) Å], and exhibits a distorted octahedral geometry, with adjacent cis angles of 76.45 (13), 86.09 (13) and 89.20 (13)°. The complete solid‐state structure can be described as a three‐dimensional supramolecular framework, stabilized by extensive hydrogen‐bonding interactions involving the coordinated water molecules, the carboxy O atoms and the protonated imidazole N atoms of the imidazole‐4,5‐dicarboxylate ligands. 相似文献
12.
John Nicolson Low Oliver Musgrave James Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):e63-e63
In the five‐membered ring in the title compound, (2‐aminoethoxy)bis(2‐thienyl)boron, C10H12BNOS2, the B atom is four‐coordinate with dimensions N—B 1.654 (3), O—B 1.479 (3), and C—B 1.606 (3) and 1.609 (3) Å. An intermolecular hydrogen bond between an amino H atom and the ethoxy O atom links the molecules into infinite chains along the a axis. Only one of the two amino H atoms is involved in hydrogen bonding because there is only the one acceptor atom, the ethoxy O atom, and the molecular geometry precludes formation of a second hydrogen bond by the second amino H atom. 相似文献
13.
Serguei Prikhodovski Martin Brring Silke Khler 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(2):m68-m70
In the crystal structure, the title compound {systematic name: [2,5‐bis(4‐ethyl‐3,5‐dimethyl‐2H‐pyrrol‐2‐ylidenemethyl)‐1H‐pyrrolato](trifluoroacetato)palladium(II)}, [Pd(C2F3O2)(C27H34N3)], forms chiral molecules with a helical distortion of the tripyrrinate ligand backbone and an essentially planar PdN3O core, with Pd—N distances ranging from 1.977 (3) to 2.045 (3) Å and a Pd—O distance of 2.051 (2) Å. This distortion of the organic ligand is considered as the conformational answer to the steric interaction of the terminal methyl groups of the tripyrrinate ligand with the donor O atom of the trifluoroacetate group. 相似文献
14.
J. Zukerman‐Schpector Antonio Carlos Trindade P. O. Dunstan 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):763-765
In both title compounds, (acetylacetonato‐O,O′)bis(3‐cyanopyridine‐N)nickel(II), (I), and (acetylacetonato‐O,O′)bis(4‐cyanopyridine‐N)nickel(II), (II), both [Ni(C5H7O2)2(C6H4N2)2], the NiII atom, which is situated on a centre of symmetry, is octahedrally coordinated. Distances and angles for (I) and (II), respectively, are: Ni—O 2.009 (2)/2.016 (2) and 2.0110 (16)/2.0238 (18) Å, Ni—N 2.116 (3) and 2.179 (2) Å, O—Ni—O 91.86 (10) and 90.19 (7)°, and O—Ni—N 91.27 (11)/90.19 (11) and 89.65 (8)/90.79 (7)°. 相似文献
15.
Kenneth W. Muir David G. Morris Cindy Ong Woei Chii 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(2):m60-m62
In the title compound, hexa‐μ‐chloro‐dichlorotetrakis(N‐trimethylammonio‐p‐toluenesulfonamidate‐κ2N,O)tetramercury(II), [Hg{Me3N(+)N(−)SO2C6H4CH3‐p}Cl2]4 or [Hg4Cl8(C10H16N2O2S)4], four nearly linear and parallel Cl—Hg—Cl units associate through pairwise Hg⋯Cl interactions of 3.1–3.2 Å. Each Hg atom is also coordinated through N and O atoms to a ylide molecule. The available structural data indicate that coordination of a sulfonyl‐stabilized nitrogen ylide to a metal atom (Hg or Ag) has no detectable effect on its geometry. 相似文献
16.
Aarne Pajunen Fernando Cmara Jose M. Dominques‐Vera Enrique Colacio 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):e49-e50
In the title compound, [Cu(C10H18N5)(CH4O)]ClO4, four N atoms from the deprotonated ligand derived from bis(3‐aminopropyl)amine and 2‐imidazolecarboxaldehyde are coordinated to the Cu atom. The four N atoms occupy equatorial positions with Cu—N bond distances ranging from 1.998 (2) to 2.046 (3) Å. The methanol O atom occupies one axial position with a Cu—O bond distance of 2.295 (2) Å. 相似文献
17.
David Martínez Majid Motevalli Michael Watkinson 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(4):m258-m260
The title compound, aquachloro{2,2′‐[1,2‐ethanediylbis(nitrilomethylidyne)]diphenolato‐κ4O,N,N′,O′}manganese(III),[MnCl(C16H14N2O2)(H2O)], is a neutral manganese(III) complex with a pseudo‐octahedral metal centre. The equatorial plane comprises the four donor atoms of the tetradentate Schiff base ligand [Mn—O 1.886 (4) and 1.893 (4) Å, and Mn—N 1.978 (5) and 1.982 (5) Å], with a water molecule [Mn—O 2.383 (4) Å] and a Cl? ligand [Mn—Cl 2.4680 (16) Å] completing the coordination sphere. The distorted geometry is highlighted by the marked displacement of the MnIII ion out of the least‐squares plane of the four Schiff base donor atoms by 0.165 (2) Å. These monomeric MnIII centres are then linked into a polymeric array via hydrogen bonds between the coordinated water molecule and the phenolic O‐atom donors of an adjacent MnIII centre [O—H?O 2.789 (5) and 2.881 (5) Å]. 相似文献
18.
Ivan Poto
k Michal Dunaj‐Jur
o Duan Miklo Werner Massa Lothar Jger 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):363-365
In the title compound, [Cu(C2N3)(C10H8N2)2]BF4, the CuII atom shows distorted trigonal‐bipyramidal geometry, with the dicyanamido ligand in the equatorial plane. The two out‐of‐plane Cu—N bond lengths to bipyridine are 2.006 (3) and 1.998 (3) Å, whereas the in‐plane Cu—N distances are 2.142 (3) and 2.043 (3) Å to the bipyridine, and 2.015 (3) Å to the dicyanamide. 相似文献
19.
Helmut W. Schmalle Ernst Gyr Erich Dubler 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):957-959
Single crystals of the title complex, tris(1,6‐dihydro‐9H‐purine‐6‐thione‐N7,S)iron(II) tetrachloroferrate(III) chloride, [Fe(C5H4N4S)3][FeCl4]Cl, were grown on the surface of solid 6‐mercaptopurine monohydrate pellets in a solution of iron(III) chloride. The solution of the hexagonal structure required the application of twin refinement techniques. All the component ions lie on threefold rotation axes. The complex contains distorted octahedral [Fe(C5H4N4S)3]2+ cations with three N7/S6‐chelating neutral 6‐mercaptopurine ligands, tetrahedral [FeCl4]? anions with a mean Fe—Cl distance of 2.189 (1) Å, and free chloride ions. 相似文献
20.
Michael P. Batten Allan J. Canty Kingsley J. Cavell Thomas Rüther Brian W. Skelton Allan H. White 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):m314-m315
In the quasi‐trigonal–bipyramidal environment of the five‐coordinate FeII atom in the title compound, [FeCl2(C14H18N6O)(CH4O)], the methanol and one of the N‐atom donors of the potentially tridentate ligand are disposed axially: Fe—N(axial) is 2.149 (2) Å, Fe—N(equatorial) is 2.108 (2) Å and N—Fe—O is 174.14 (7)°. 相似文献