共查询到20条相似文献,搜索用时 23 毫秒
1.
Choudhury M. Zakaria George Ferguson Alan J. Lough Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(4):o204-o208
The adduct 1,6‐diaminohexane–1,1,1‐tris(4‐hydroxyphenyl)ethane (1/2) is a salt {hexane‐1,6‐diyldiammonium–4‐[1,1‐bis(4‐hydroxyphenyl)ethyl]phenolate (1/2)}, C6H18N22+·2C20H17O3?, in which the cation lies across a centre of inversion in space group P. The anions are linked by two short O—H?O hydrogen bonds [H?O 1.74 and 1.76 Å, O?O 2.5702 (12) and 2.5855 (12) Å, and O—H?O 168 and 169°] into a chain containing two types of R(24) ring. Each cation is linked to four different anion chains by three N—H?O hydrogen bonds [H?O 1.76–2.06 Å, N?O 2.6749 (14)–2.9159 (14) Å and N—H?O 156–172°]. In the adduct 2,2′‐bipyridyl–1,1,1‐tris(4‐hydroxyphenyl)ethane (1/2), C10H8N2·2C20H18O3, the neutral diamine lies across a centre of inversion in space group P21/n. The tris(phenol) molecules are linked by two O—H?O hydrogen bonds [H?O both 1.90 Å, O?O 2.7303 (14) and 2.7415 (15) Å, and O—H?O 173 and 176°] into sheets built from R(38) rings. Pairs of tris(phenol) sheets are linked via the diamine by means of a single O—H?N hydrogen bond [H?N 1.97 Å, O?N 2.7833 (16) Å and O—H?N 163°]. 相似文献
2.
Xue Li Jian‐Min Dou Ying Liu Lan‐Ying Zhu Pei‐Ju Zheng 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):1185-1187
The novel PtII–dibenzo‐18‐crown‐6 (DB18C6) title complex, μ‐[tetrakis(thiocyanato‐S)platinum(II)]‐N:N′‐bis{[2,5,8,15,18,21‐hexaoxatricyclo[20.4.0.19,14]hexacosa‐1(22),9(14),10,12,23,25‐hexaene‐κ6O]potassium(I)}, [K(C20H24O6)]2[Pt(SCN)4], has been isolated and characterized by X‐ray diffraction analysis. The structure analysis shows that the complex displays a quasi‐one‐dimensional infinite chain of two [K(DB18C6)]+ complex cations and a [Pt(SCN)4]2? anion, bridged by K+?π interactions between adjacent [K(DB18C6)]+ units. 相似文献
3.
Neven Strukan Marina Cindri Maja Dev
i Gerald Giester Boris Kamenar 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):e278-e279
The crystal and molecular structure of the title compound, (C4H12N)2[Mo6O19]·H2O, has been determined from X‐ray diffraction data. The polyoxoanion [Mo6O19]2? is built up from six distorted MoO6 octahedra sharing common edges and one common vertex at the central O atom, and has crystallographic m3m (Oh) symmetry. The cation has crystallographic 3m symmetry. 相似文献
4.
Ivana Kut Smatanov Jaromír Marek Peter van
rek Peter Schwendt 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):154-155
The crystal structure of the title complex, bis(tetra‐n‐butylammonium) bis(‐‐hydroxybenzeneacetato)‐1κ2O1,O2:2κO2;1κO2:2κ2O1,O2‐bis[oxo(peroxo)vanadium(V)] α‐hydroxybenzeneacetic acid solvate, (C16H36N)2[V2O2(O2)2(C8H6O3)2]·C8H8O3, consists of dimeric anions with twofold rotation symmetry, cations and molecules of mandelic acid. Deprotonated hydroxyl O atoms of the mandelate dianion ligands bridge the V atoms to give a non‐planar V2O2 ring. Each V atom has distorted pentagonal pyramidal coordination geometry, with an oxo ligand in the axial position. The mandelic acid molecule is disordered and coordinates weakly to the second axial site of each V atom through a carboxylate O atom. 相似文献
5.
Alexander V. Virovets Sergey N. Konchenko 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):e383-e384
The structure of the title compound, hexacarbonyl‐1κ3C,2κ3C‐[3(η5)‐cyclopentadienyl]bis(μ3‐selenido)diiron(II)cobalt(II),[CoFe2(μ3‐Se)2(C5H5)(CO)6], was redetermined at room temperature and the correct C2/c space group was assumed instead of the previously reported P space group [Mathur et al. (1995). Organometallics, 14 , 2115–2118]. Analysis of the literature data showed that the previously reported triclinic parameters correspond to a primitive subcell of the actual monoclinic C‐centred cell with cell dimensions close to those found by us. The title compound appeared to be isostructural with the sulfur–selenium analogue. 相似文献
6.
Takashi Kajiwara Tasuku Ito 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(1):22-23
The title octahedral complexes, [bis(pyridine‐2‐carbonyl)aminate]dichloro(methanol)iron(III), [Fe(C12H8N3O2)Cl2‐(CH4O)], and [bis(pyridine‐2‐carbonyl)aminate]dichloro‐(ethanol)iron(III), [Fe(C12H8N3O2)Cl2(C2H6O)], both crystallize in space group and have similar structures. Monoanionic bpca? [bis(pyridine‐2‐carbonyl)aminate] acts as a planar tridentate ligand in both cases. Coordination bond distances are in the range typical of high‐spin FeIII complexes. Carbon–oxygen distances are typical of a C=O double bond suggesting the negative charge of the bpca? ligand is localized on the central N atom. 相似文献
7.
Annegrit Rabis Burkhard Ziemer Dirk Wulff‐Molder Manfred Meisel Sebastian Beck 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(4):o247-o250
The title compounds, ethyldiphenylphosphine–dithiomonometaphosphoryl chloride, EtPh2PPS2Cl, C14H15ClP2S2, (I), and tris‐n‐propylphosphine–dithiomonometaphosphoryl chloride and bromide, nPr3PPS2Cl, C9H21ClP2S2, (II), and nPr3PPS2Br, C9H21BrP2S2, (III), respectively, are the first phosphine‐stabilized dithiomonometaphosphoryl halides to be structurally characterized. In the tris‐n‐propylphosphine derivatives, the central PP donor–acceptor bond becomes longer in the order bromo < chloro < fluoro. Substitution of the tris‐n‐propylphosphine group in (II) by the more bulky ethyldiphenylphosphine group also leads to a longer PP bond. These structural features agree with the observed 31P NMR data. In (II) and (III), the central P—P bond coincides with the crystallographic threefold axis, entailing site‐occupational disorder for the S2Y group. 相似文献
8.
Frank J. Feher Richard K. Baldwin Joseph W. Ziller 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(6):633-634
The crystal structure of the title complex, (η6‐hexamethylbenzene)bis(trifluoromethanesulfonato‐O)(2,4,6‐trimethylaniline‐N)ruthenium(II), [Ru(CF3O3S)2(C12H18)(C9H13N)], is described. The complex has the classic three‐legged piano‐stool structure with a planar arene 1.667 Å from the metal, two monodentate O‐bound trifluoromethanesulfonate ligands [Ru—O 2.169 (2) and 2.174 (2) Å] and one N‐bound mesidine ligand [Ru—N 2.198 (2) Å]. The Ru—N distance is relatively long and the average Ru—O distance is relatively short when compared with previously characterized RuII complexes. 相似文献
9.
Anwar Usman Suchada Chantrapromma Hoong‐Kun Fun 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):m45-m47
The title compound, bis(2,4‐dinitrophenolato‐κ2O,O′)(1,4,7,10,13,16‐hexaoxadecane‐κ6O)barium(II), [Ba(C6H3N2O5)2(C12H24O6)], is a 1:1 complex of barium(II)–2,4‐dinitrophenolate and 1,4,7,10,13,16‐hexaoxacyclooctadecane (18‐crown‐6). Its structure is located on a crystallographic inversion centre. The temperature dependence of the crystal structure has been studied. The monoclinic β angle of the P21/n space group increases with increasing temperature. The packing structure of the complex is stabilized by intermolecular C—H?O interactions. 相似文献
10.
Two coordination polymers {[Cd(phen)](C6H8O4)3/3} ( 1 ) and {[Cd(phen)](C7H10O4)3/3} · 2H2O ( 2 ) were structurally characterized by single crystal X‐ray diffraction methods. In 1 (C2/c (no. 15), a = 16.169(2)Å, b = 15.485(2)Å, c = 14.044(2)Å, β = 112.701(8)°, U = 3243.9(7)Å3, Z = 8), the Cd atoms are coordinated by two N atoms of one phen ligand and five O atoms of three adipato ligands to form mono‐capped trigonal prisms with d(Cd‐O) = 2.271‐2.583Å and d(Cd‐N) = 2.309, 2.390Å. The [Cd(phen)] moieties are bridged by adipato ligands to generate {[Cd(phen)](C6H8O4)3/3} chains, which, via interchain π—π stacking interactions, are assembled into layers. Complex 2 (P1¯(no. 2), a = 9.986(1)Å, b = 10.230(3)Å, c = 11.243(1)Å, α = 66.06(1)°, β = 87.20(1)°, γ = 66.71(1)°, U = 955.7(2)Å3, Z = 2) consists of {[Cd(phen)](C7H10O4)3/3} chains and hydrogen bonded H2O molecules. The Cd atoms are pentagonal bipyramidally coordinated by two N atoms of one phen ligand and five O atoms of three pimelato ligands with d(Cd‐O) = 2.213—2.721Å and d(Cd‐N) = 2.329, 2.372Å. Through interchain π—π stacking interactions, the {[Cd(phen)](C7H10O4)3/3} chains resulting from [Cd(phen)] moieties bridged by pimelato ligands are assembled in to layers, between which the hydrogen bonded H2O molecules are sandwiched. 相似文献
11.
Roger E. Gerkin 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):843-845
The title compound, 2‐hydroxy‐1‐(phenylsulfonyl)spiro[cyclopentene‐4,9′‐[9H]fluoren]‐3‐one, C23H16O4S, crystallized in the centrosymmetric space group P21/n with one molecule as the asymmetric unit. The hydroxyl‐H atom is ordered and participates in a single intramolecular hydrogen bond and in a single intermolecular hydrogen bond, in which the OD—H distance is 0.90 (2), H?OA is 2.34 (3), OD?OA is 2.987 (2) Å and OD—H?OA is 129 (2)°. The intermolecular hydrogen bond forms an R(12) cyclic dimer about a center of symmetry. There are six leading C—H?O interactions. Taken together, these interactions form a three‐dimensional network. Structural comparisons are made with tetrabenzodispiro[4.0.4.3]tridecatetraene. 相似文献
12.
Allison J. Dobson Roger E. Gerkin 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):1021-1023
The title compound, C16H10N2O6·2H2O, crystallized in the centrosymmetric triclinic space group P with one organic molecule and two water molecules as the asymmetric unit. Eight intermolecular hydrogen bonds have donor?acceptor distances in the range 2.602 (2)–3.289 (2) Å, with angles in the range 137 (2)–177 (2)°. These generate a three‐dimensional hydrogen‐bond network. There is a single intramolecular hydrogen bond. There are six significant intermolecular C—H?O interactions with H?O distances in the range 2.39–2.74 Å, and C—H?O angles in the range 131–157°. 相似文献
13.
Bong‐Hwan Han Moon‐Gun Choi 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):1001-1003
The structure of tetrakis(3,4‐ethylenedioxy‐2‐thienyl)silane carbon tetrachloride solvate, Si(C6H5O2S)4·CCl4, has been determined in the noncentrosymmetric space group I. The Si and C atoms of the CCl4 are located on the fourfold inversion axes. The Si atom has a tetrahedral geometry. The thiophene ring in the 3,4‐ethylenedioxythiophene group is nearly planar to within 0.005 Å, and the ethylenedioxy moiety is in a half‐chair conformation. 相似文献
14.
M. Teresa Duarte M. Ftima M. Piedade M. Paula Robalo Antnio P. S. Teixeira M. Helena Garcia 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(8):m386-m389
The title compound, (η5‐cyclopentadienyl)(4‐nitrobenzonitrile‐κN)(trimethylphosphine‐κP)(triphenylphosphite‐κP)iron(II) hexafluorophosphate, [Fe(C5H5)(C7H4N2O2)(C18H15O3P)(C3H9P)]PF6, has been characterized by spectroscopic and X‐ray diffraction in order to evaluate the tuning of the electron density at the metal centre and the extension of the π delocalization on the molecule due to the presence of phosphite and phosphine co‐ligands. The compound crystallizes in the centrosymmetric space group P21/c, which destroys the possibility of exhibiting any quadratic non‐linear optical properties. The packing shows a supramolecular zigzag chain of antiparallel cations connected via the PF6− anions through C—H⋯Fδ− interactions, with H⋯F distances ranging from 2.39 to 2.67 Å. Each zigzag chain is composed of isomeric organometallic fragments containing either R or S molecules. These chains are connected through weak intermolecular C—H⋯C interactions, forming a two‐dimensional plane parallel to (101). 相似文献
15.
Katarzyna
lepokura Tadeusz Lis Magorzata Bogucka Joanna Lutomska Adam Kraszewski Krzysztof Sierosawski 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(7):o405-o409
The crystal structures of triethylammonium adenosine cyclic 2′,3′‐phosphate {systematic name: triethylammonium 4‐(6‐aminopurin‐9‐yl)‐6‐hydroxymethyl‐2‐oxido‐2‐oxoperhydrofurano[3,4‐c][1,3,2]dioxaphosphole}, Et3NH(2′,3′‐cAMP) or C6H16N+·C10H11N5O6P−, (I), and guanosine cyclic 2′,3′‐phosphate monohydrate {systematic name: triethylammonium 6‐hydroxymethyl‐2‐oxido‐2‐oxo‐4‐(6‐oxo‐1,6‐dihydropurin‐9‐yl)perhydrofurano[3,4‐c][1,3,2]dioxaphosphole monohydrate}, [Et3NH(2′,3′‐cGMP)]·H2O or C6H16N+·C10H11N5O7P−·H2O, (II), reveal different nucleobase orientations, viz. anti in (I) and syn in (II). These are stabilized by different inter‐ and intramolecular hydrogen bonds. The structures also exhibit different ribose ring puckering [4E in (I) and 3T2 in (II)] and slightly different 1,3,2‐dioxaphospholane ring conformations, viz. envelope in (I) and puckered in (II). Infinite ribbons of 2′,3′‐cAMP− and helical chains of 2′,3′‐cGMP− ions, both formed by O—H⋯O, N—H⋯X and C—H⋯X (X = O or N) hydrogen‐bond contacts, characterize (I) and (II), respectively. 相似文献
16.
Dejan Poleti Ljiljana Karanovi Vukadin M. Leovac Violeta S. Jevtovi 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(3):m73-m75
The title compound, dibromo(3‐hydroxy‐5‐hydroxymethyl‐2‐methyl‐4‐pyridinecarboxaldehyde semicarbazone‐κ3N1,O3,O3′)copper(II), [CuBr2(C9H12N4O3)], consists of discrete complex units with the tridentate pyridoxal semicarbazone ligand as a zwitterion in an almost planar configuration. The CuII ions are in a distorted square‐pyramidal coordination, with the equatorial Br atom at a distance of 2.4017 (6) Å and the apical Br atom at a distance of 2.6860 (6) Å. 相似文献
17.
Colin J. Burchell George Ferguson Alan J. Lough Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):1126-1128
The 1:1 adduct of 1,4‐diazabicyclo[2.2.2]octane and 5‐hydroxyisophthalic acid is a salt, [H(C6H12N2)]+·[HOC6H3(COOH)COO]? or C6H13N2+·C8H5O5?. The ions are linked by three types of hydrogen bond, i.e. N—H?O, O—H?O and O—H?N, into continuous two‐dimensional (4,4) nets built from a single type of R(58) ring. Six independent sheets of this type make up the structure and these are interwoven in sets of three. 相似文献
18.
Christian Schmolke Dipl.‐Chem. Oliver Oeckler Dr. Daniel Bichler Dipl.‐Chem. Dirk Johrendt Prof. Dr. Wolfgang Schnick Prof. Dr. 《Chemistry (Weinheim an der Bergstrasse, Germany)》2009,15(36):9215-9222
A new structure type of nitridosilicates with an interrupted framework has been identified for M7Si6N15 with M=La, Ce, and Pr. The materials have been synthesized in a radio‐frequency furnace at temperatures between 1550–1625 °C, starting from the respective metals, metal nitrides, and silicon diimide. The crystal structure of Ce7Si6N15 has been determined by using single‐crystal X‐ray diffraction. Besides ordered crystals 1 with a complicated triclinic superstructure and multiple twinning (P , no. 2; a=13.009(3), b=25.483(5), c=25.508(10) Å; α=117.35(3), β=99.59(3), γ=99.63(3)°; V=7114(2) Å3; Z=18; R1=0.0411), disordered crystals 2 with identical composition exhibiting a trigonal average structure (R , no. 148) have also been observed (a=43.420(6), c=6.506(2) Å; V=10 623(3) Å3; Z=27; R1=0.0309). Pr7Si6N15 ( 3 ) and La7Si6N15 ( 4 ) are isostructural with 1 as evidenced by twinned single‐crystal data for 3 (P , no. 2; a=12.966(3), b=25.449(10), c=25.459(10) Å; α=117.28(3), β=99.70(4), γ=99.60(4)°; V=7068(4) Å3; Z=18; R1=0.0526) and powder diffraction data for 4 (P , no. 2; a=13.109(9), b=25.606(18), c=25.609(18) Å; V=7223(12) Å3; Z=18; RP=0.0194; RF=0.0936). The crystal structure of M7Si6N15 (M=La, Ce, Pr) is built up exclusively of corner‐sharing tetrahedrons that appear as Q2‐, Q3‐, and Q4‐type tetrahedrons forming different ring sizes within a less condensed three‐dimensional network. Among the characteristic structural motifs are saw‐blade‐shaped 12‐rings and finite chains consisting of four corner‐sharing SiN4 tetrahedrons. High‐resolution transmission electron micrographs indicate both ordered and disordered crystallites. In the diffraction patterns of disordered rhombohedral crystals, diffuse maxima appear in reciprocal space at those positions in which sharp superstructure reflections are found in the case of the respective ordered crystallites. Magnetic susceptibility measurements of Ce7Si6N15 show paramagnetic behavior with an experimental magnetic moment of 2.29 μB per Ce, thereby corroborating the existence of Ce3+. 相似文献
19.
Suchada Chantrapromma Anwar Usman Hoong‐Kun Fun 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(11):m531-m533
In the title compound [systematic name: triaqua(1,4,7,10,13,16‐hexaoxacyclooctadecane‐κ6O)(2‐nitrophenolato‐κO)barium(II)–aqua(1,4,7,10,13,16‐hexaoxacyclooctadecane‐κ6O)‐ bis(2‐nitrophenolato‐κ2O,O′)barium(II)–2‐nitrophenolate (1/1/1)], [Ba(C12H24O6)(C6H4NO3)(H2O)3][Ba(C12H24O6)(C6H4NO3)2(H2O)](C6H4NO3), the two BaII atoms encapsulated by the 18‐crown‐6 rings have different coordinations. Although both BaII atoms are coordinated to the six O atoms of the crowns, in the neutral moiety, the BaII atom is coordinated to one terminal O atom from a water molecule, two phenolate O atoms and two nitro‐group O atoms, while in the cationic moiety, the BaII atom is coordinated to three terminal O atoms from water molecules and one phenolate O atom. Both the crowns are eclipsed and translated along the b direction. In the asymmetric unit, the three components are interconnected by four O—H?O interactions. The packing is stabilized by two intermolecular C—H?O interactions and by one O—H?O interaction. 相似文献
20.
Nicholas C. Norman A. Guy Orpen Michael J. Quayle Edward G. Robins 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(1):50-52
The structure of trans‐(bromo/chloro)hydridotetrakis(tri‐methylphosphine)rhodium(III) bis(tetrabromopyrocatechol‐ato‐O,O′)borate dichloromethane solvate, [RhCl0·74Br0·26H‐(C3H9P)4](C12BBr8O4)·CH2Cl2, is reported. The RhIII complex shows bromine/chlorine compositional disorder with a trans arrangement of the hydride and halide ligands. The anion has approximate D2d symmetry, with a central spiro‐B atom distorted from regular tetrahedral geometry by the small chelating O—B—O angles. 相似文献