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1.
Shigeru Ohba Makoto Eishima Hiroshi Seki 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):e555-e556
In the title compound, [Co(tpp)(NO2)(H2O)]·2dmf or [Co(C44H28N4)(NO2)(H2O)]·2C3H7NO, a distorted octahedral CoIII complex shows an orientational disorder such that the positions of the nitro and aqua ligands are exchanged. As a result, the averaged structure has an inversion centre at the Co atom. The dimethylformamide molecule also has a positional disorder. 相似文献
2.
J. Dominic Smith Keith T. Quisenberry Timothy P. Hanusa William W. Brennessel 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(10):m507-m508
The title compound, bis[(1,2,3‐η)‐(2E)‐1,3‐bis(trimethylsilyl)prop‐2‐enyl]cobalt(II), [Co(C9H21Si2)2], is a homoleptic allyl complex with η3‐bound ligands. The Co—C distances range from 1.996 (3) to 2.096 (3) Å and the allyl ligands adopt staggered, nearly parallel, arrangements around the Co atom. The trimethylsilyl groups are in syn–anti conformations; the steric shielding they provide to the metal is probably responsible for the thermal stability of the compound. 相似文献
3.
Jaromír Marek Dagmar Hulov Jií Dostl Radek Marek 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(10):o583-o585
The title compound [systematic name: 9,10‐dimethoxy‐2,3‐methylenedioxy‐5,6‐dihydrodibenzo[a,g]quinolizinium formate–succinic acid (1/1)], C20H18NO4+·CHO2−·C4H6O4, contains centrosymmetric pairs of almost planar berberine cations, and hydrogen‐bonded (C4H6O4⋯HCOO−)2 rings of succinic acid with formate anions, bonded by O—H⋯O hydrogen bonds with O⋯O distances of 2.4886 (15) and 2.5652 (16) Å. Pairs of cations and molecules of succinic acid are connected by non‐conventional weak C—H⋯O hydrogen bonds, with C⋯O distances of 3.082 (2) and 3.178 (2) Å. 相似文献
4.
Stanisaw Boryczka Thomas Steiner 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):1139-1141
In 3‐methylthio‐4‐(propargylthio)quinolinium chloride monohydrate, C13H12NS2+·Cl?·H2O, and 3‐methylthio‐4‐(propargylthio)quinolinium trichloroacetate, C13H12NS2+·C2Cl3O2?, the terminal alkyne group forms C[triple‐bond]C—H?O hydrogen bonds of favourable geometry. The conformation of the flexible propargylthio group is different in the two structures. 相似文献
5.
Susan M. Chemaly Helder M. Marques Christopher B. Perry 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(2):m88-m90
The diisopropylphosphite ligand in the title diisopropylphosphitocobalamin compound, [Co(C68H102N13O17P2)]·3.48C3H6O·7.56H2O, coordinates to the CoIII atom via its P atom. The crystal structure is isomorphous with that of other cobalamins that adopt packing type II [Gruber, Jogl, Klintschar & Kratky (1998). Vitamin B12 and B12 Proteins, edited by Kräutler, Arigoni & Golding, pp. 335–347. New York: Wiley–VCH], with a Co—P bond length [2.227 (1) Å] similar to that found in other phosphitocobalamins. The structural trans influence in cobalamins is discussed. 相似文献
6.
Ning‐Hai Hu Heng‐Qing Jia Jing‐Wei Xu Katsuyuki Aoki 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(7):o457-o459
The title compound, 3‐[(4‐amino‐2‐methylpyrimidin‐5‐yl)methyl]‐5‐(2‐hydroxyethyl)‐4‐methylthiazolium tetraphenylborate monohydrate, C12H17N4OS+·C24H20B−·H2O, is a salt in which the thiamine cations are linked by hydrogen bonds into a two‐dimensional network having (4,4)‐topology. The stacked sheets form channels, which are occupied by the anions; the cations and anions are linked by C—H⋯π(arene) hydrogen bonds. 相似文献
7.
Dorcas M. M. Farrell George Ferguson Alan J. Lough Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):o6-o8
In the hydrated adduct N,N′‐dimethylpiperazine‐1,4‐diium bis(3‐carboxy‐2,3‐dihydroxypropanoate) dihydrate, [MeNH(CH2CH2)2NHMe]2+·2(C4H5O6)?·2H2O or C6H16N22+·2C4H5O6?·2H2O, formed between racemic tartaric acid and N,N′‐dimethylpiperazine (triclinic P, Z′ = 0.5), the cations lie across centres of inversion. The anions alone form chains, and anions and water molecules together form sheets; the sheets are linked by the cations to form a pillared‐layer framework. The supramolecular architecture thus takes the form of a family of N‐dimensional N‐component structures having N = 1, 2 or 3. 相似文献
8.
Zun‐Ting Zhang Xin‐Li Cheng Yun He 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(10):m484-m487
In methylaminium 4′,7‐dihydroxyisoflavone‐3′‐sulfonate dihydrate, CH6N+·C15H9O7S−·2H2O, 11 hydrogen bonds exist between the methylaminium cations, the isoflavone‐3′‐sulfonate anions and the solvent water molecules. In hexaaquairon(II) bis(4′,7‐diethoxyisoflavone‐3′‐sulfonate) tetrahydrate, [Fe(H2O)6](C19H17O7S)2·4H2O, 12 hydrogen bonds exist between the centrosymmetric [Fe(H2O)6]2+ cation, the isoflavone‐3′‐sulfonate anions and the solvent water molecules. Additional π–π stacking interactions generate three‐dimensional supramolecular structures in both compounds. 相似文献
9.
Akiko Asano Takeshi Yamada Atsushi Numata Mitsunobu Doi 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(9):o488-o490
The title compound, 1‐cyclohexylmethyl‐1‐de(1‐methylpropyl)ascidiacyclamide N,N‐dimethylacetamide dihydrate, C39H56N8O6S2·C4H9NO·2H2O, a cyclohexylalanine‐incorporated ascidiacyclamide analogue ([Cha]ASC), shows a square form similar to natural ASC. On the other hand, CD (circular dichroism) spectra showed [Cha]ASC to have a folded structure in solution, making it the second known analogue to show a discrepancy between its crystal and solution structures. Moreover, the cytotoxicity of [Cha]ASC (ED50 = 5.6 µg ml−1) was approximately two times stronger than that of natural ASC or a related phenylalanine‐incorporated analogue, viz. cyclo(‐Phe–Oxz–d ‐Val–Thz–Ile–Oxz–d ‐Val–Thz‐) ([Phe]ASC), and was confirmed to be associated with the square form. However, [Phe]ASC was previously shown to be folded in the crystal structure, which suggests that the difference between the aromatic and aliphatic rings affects the molecular folding of the ASC molecule. 相似文献
10.
Khalil A. Abboud Peter N. Nickias Eugene Y.‐X. Chen 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):m41-m42
In the structure of bis({N‐[dimethyl(1η5‐2,3,4,6‐tetramethylindenyl)silyl]cyclohexylamido‐1κN}(methyl‐3κC)‐di‐μ3‐methylene‐1:2:3κ3C;1:3:3′κ3C‐tris(pentafluorophenyl‐2κC)titanium) benzene disolvate, [Me2Si(η5‐2,3,4,6‐Me4C9H2)(C6H11N)]Ti[(μ3‐CH2)Al(C6F5)3][AlMe(μ3‐CH2)]2 or [Ti2(C21H7AlF15)2(C21H31NSi)2]·2C6D6, the dimer is located on an inversion center, and the two Ti centers are linked by double Ti(μ3‐CH2)Al(C6F5)3AlMe(μ3‐CH2) heterocycles. The electron‐deficient Ti centers are further stabilized by two α‐agostic interactions between Ti and one H atom of each bridging methylene group. 相似文献
11.
Michael Bolte Karl Hensen Alexander Faber 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(11):e524-e525
In the course of an attempt to synthesize tetrakis(3,5‐dimethylpyridine)dihydridosilicon dibromide, crystals of its acetonitrile disolvate, C28H38N4Si2+·2Br?·2C2H3N, (I), and of 3,5‐dimethylpyridinium bromide, C7H10N+·Br?, (II), were obtained in the same reaction flask. They have both been structurally characterized. 相似文献
12.
Marc Lecouvey Carole Barbey Alda Navaza Alain Neuman Thierry Prang 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(8):o521-o524
Two [hydroxy(aryl)methylene]diphosphonic acids have been crystallized as dimers. The first compound, [hydroxy(phenyl)methylene]diphosphonic acid monohydrate, C7H10O7P2·H2O, crystallizes in the non‐centrosymmetric space group P21, with the two enantiomers related by a non‐crystallographic centre of inversion, while the second compound, [hydroxy(4‐nitrophenyl)methylene]diphosphonic acid tetrahydrofuran disolvate, C7H9NO9P2·2C4H8O, crystallizes in the centrosymmetric space group P21/c and uses the centre of symmetry to form the same dimer. 相似文献
13.
Bernardo Masci Pierre Thury 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(11):m584-m586
In the title compound, [UO2(C13H10O2)(C11H19N3)]·C3H6O, the U atom is in a pentagonal–bipyramidal environment, with the three N atoms of the 2,6‐bis[(dimethylamino)methyl]pyridine ligand and the two O atoms of the dianionic 2,2′‐methylenediphenolate ligand in the equatorial plane. The geometry is compared with that of previously reported 1:2 uranyl–diphenoxide complexes. 相似文献
14.
Reijo Sillanp Jordi Llop Clara Vias Francecs Teixidor Raikko Kiveks 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(8):900-901
In the title compound, (η5‐2,5‐dimethylpyrrolyl)[(7,8,9,10,11‐η)‐7‐methyl‐7,8‐dicarba‐nido‐undecaborato]cobalt(III), [3‐Co{η5‐[2,5‐(CH3)2‐NC4H2]}‐1‐CH3‐1,2‐C2B9H10] or [Co(C3H13B9)(C6H8N)], the CoIII atom is sandwiched between the pentagonal faces of the pyrrolyl and dicarbollide ligands, resulting in a neutral molecule. The C—C distance in the dicarbollide cage is 1.649 (3) Å. 相似文献
15.
Delphine Firley Bernard Fraisse Fatima Zouhiri Anne Spasojevi‐de Bir Didier Desmaële Jean D'Angelo Nour Eddine Ghermani 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(3):o154-o157
Both 7‐carboxylato‐8‐hydroxy‐2‐methylquinolinium monohydrate, C11H9NO3·H2O, (I), and 7‐carboxy‐8‐hydroxy‐2‐methylquinolinium chloride monohydrate, C11H10NO3+·Cl−·H2O, (II), crystallize in the centrosymmetric P space group. Both compounds display an intramolecular O—H⋯O hydrogen bond involving the hydroxy group; this hydrogen bond is stronger in (I) due to its zwitterionic character [O⋯O = 2.4449 (11) Å in (I) and 2.5881 (12) Å in (II)]. In both crystal structures, the HN+ group participates in the stabilization of the structure via intermolecular hydrogen bonds with water molecules [N⋯O = 2.7450 (12) Å in (I) and 2.8025 (14) Å in (II)]. In compound (II), a hydrogen‐bond network connects the Cl− anion to the carboxylic acid group [Cl⋯O = 2.9641 (11) Å] and to two water molecules [Cl⋯O = 3.1485 (10) and 3.2744 (10) Å]. 相似文献
16.
Arnold A. Feldmann Kai Schmengler Klaus Laue Stefan Marose Kristin Kirschbaum Olaf Conrad Dean M. Giolando 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(11):e531-e531
The crystal structure of the title compound, [Me2NHC2H4NHMe2][SePh]2 or C6H18N22+·2C6H5Se?, reveals hydrogen bonding between the benzeneselenolate anions and the tetramethylethylenediammonium cations. The asymmetric unit contains one formula unit of the title compound. The two Se?H distances are 2.22 (4) and 2.34 (4) Å. 相似文献
17.
Jiang‐Lin Fang Wei Huang Suchada Chantrapromma S. Shanmuga Sundara Raj Ibrahim Abdul Razak Hoong‐Kun Fun Shao‐Hua Gou Hong‐Sen Wang 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):1429-1430
A donor–acceptor compound, diaqua‐1κO,2κO‐[μ‐11,23‐dimethyl‐3,7,15,19‐tetraazatricyclo[19.3.1.19,13]hexacosa‐1(25),2,7,9,11,13(26),14,19,21,23‐decaene‐25,26‐diolato‐1κ4N3,N7,O25,O26:2κ4N15,N19,O25,O26]dizinc(II) diperchlorate bis(8‐methylquinoline) ethanol disolvate, [Zn2(C24H26N4O2)(H2O)2](ClO4)2·2C10H9N·2C2H6O, obtained by the reaction of a dinuclear zinc(II) complex of a Robson macrocycle (acceptor) and 8‐methylquinoline (donor), lies about an inversion centre and the coordination about the unique Zn atom is a distorted square pyramid. The fifth coordination site is occupied by the water molecule, Zn—O = 2.016 (2) Å, and the average macrocyclic Zn—O and Zn—N distances are 2.059 (6) and 2.059 (3) Å, respectively. 相似文献
18.
Marcos A. De Brito Adailton J. Bortoluzzi Alessandra Greatti Augusto S. Ceccato Antnio C. Joussef Sueli M. Drechsel 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):1188-1190
The binuclear cation of the title compound, [Ni2(C33H29N4O3)(H2O)4]C2H3O2·C3H7NO·0.75H2O, was synthesized as a model for the active site of urease. Two tridentate halves of the symmetrical 2,6‐bis{[(2‐hydroxyphenyl)(2‐pyridylmethyl)amino]methyl}‐4‐methylphenolate (BPPMP3?) ligand are arranged in a meridional fashion around the two NiII ions, with the phenoxo O atom bridging the NiII ions. The cation has an approximate twofold rotation axis running through the C—O bond of the bridging phenolate group. Four water molecules complete the octahedral environment of each NiII ion. 相似文献
19.
Arne Johansen Randi Midtkandal Heidi Roggen Carl Henrik Grbitz 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(4):o198-o200
The valine side chains in the crystal structure of the title compound [systematic name: 2‐(2‐ammonio‐3‐methylbutanamido)‐3‐hydroxypropanoate trihydrate], C8H16N2O4·3H2O, stack along an a axis of 4.77 Å to form hydrophobic columns surrounded by remarkable water/hydroxyl shells. The peptide main chains are connected by hydrogen bonds in two‐dimensional layers. The peptide molecules in each layer are related only by translation, and generate a very rare pattern. This is rendered possible through the formation of the shortest Cα—H·O(carboxylate) interaction ever recorded. 相似文献
20.
Judith Felcman R. Alan Howie Jussara Lopes De Miranda Janet M. S. Skakle James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(3):m103-m106
The structure of the title compound, aqua[μ‐(N1‐carboxylatomethylguanidino)oxidoacetato](μ‐guanidinoacetic acid)dicopper(II) nitrate dihydrate, [Cu2(C5H6N3O5)(C3H7N3O2)(H2O)]NO3·2H2O, contains two enantiomers of the dicopper(II) complex cation that comprise water, neutral zwitterionic guanidinoacetic acid and the trianion of (N1‐carboxymethylguanidino)hydroxyacetic acid as ligands. Extensive hydrogen bonding creates three‐dimensional connectivity but is largely confined to layers that each contain both cation enantiomers. These layers are related to one another by crystallographic symmetry and are therefore identical in composition and connectivity. 相似文献