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1.
Meiyappan Muthuraman Jean‐Franois Nicoud Ren Masse Gautam R. Desiraju 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):986-988
The title compound, C25H22P+·C5H5O2?, crystallizes in space group P21/c. The phosphonium cations form zigzag chains with P?P distances of 6.475 (1) and 8.287 (2) Å, and are related by inversion centres. Two types of attractive edge‐to‐face phenyl interactions exist, resulting in a dominant supramolecular motif. The glutaconaldehyde anions occupy the interchain spacing and hold adjacent chains together via multiple C—H?O hydrogen bonds. The bond‐length alternation, a parameter which reveals the non‐linear optical efficiency at the molecular level, is optimized in the chromophore anion. 相似文献
2.
Dorcas M. M. Farrell George Ferguson Alan J. Lough Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(8):952-954
In the title compound, C6H16N22+·2C2H4O5P?, the cations lie across centres of inversion; in the anions, two of the H‐atom sites have 0.50 occupancy. The anions are linked by short O—H?O hydrogen bonds [O?O 2.465 (3)–2.612 (3) Å and O—H?O 165–171°] into sheets of alternating R(12) and R(28) rings, both of which are centrosymmetric; the cations lie at the centres of the larger rings linked to the anion sheet by N—H?O hydrogen bonds [N?O 2.642 (2) Å and N—H?O 176°]. 相似文献
3.
Alan J. Lough Richard M. Gregson George Ferguson Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):859-861
The title compound is a salt, [C12H32N6]2+·2[HOC6H4C6H4O]?. The centrosymmetric cation contains two intramolecular N—H?N hydrogen bonds with an N?N distance of 2.8290 (13) Å, and the pendent amino groups are in axial sites; the anion contains an intramolecular O—H?O hydrogen bond with an O?O distance of 2.4656 (11) Å. The ions are linked into continuous chains by means of four types of N—H?O hydrogen bonds with N?O distances ranging from 2.7238 (12) Å to 3.3091 (13) Å, associated with N—H?O angles in the range 148–160°. 相似文献
4.
Dorcas M. M. Farrell George Ferguson Alan J. Lough Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(8):955-957
In the title compound, C4H12N22+·2C8H7O3?·2CH4O, the cations lie across centres of inversion and are disordered over two orientations with equal occupancy; there are equal numbers of (R)‐ and (S)‐mandelate anions present (mandelate is α‐hydroxybenzeneacetate). The anions and the neutral water molecules are linked by O—H?O hydrogen bonds [O?O 2.658 (3) and 2.682 (3) Å, and O—H?O 176 and 166°] into deeply folded zigzag chains. Each orientation of the cation forms two symmetry‐related two‐centre N—H?O hydrogen bonds [N?O 2.588 (4) and 2.678 (4) Å, and N—H?O 177 and 171°] and two asymmetric, but planar, three‐centre N—H?(O)2 hydrogen bonds [N?O 2.686 (4)–3.137 (4) Å and N—H?O 137–147°], and by means of these the cations link the anion/water chains into bilayers. 相似文献
5.
Roger E. Gerkin 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(6):677-678
The title compound, C16H18O4, crystallized in the centrosymmetric space group P21/c with one molecule in the asymmetric unit. The two hydroxyl‐H atoms are ordered, and are involved in intermolecular hydrogen bonds with Odonor?Oacceptor distances of 2.761 (1) and 2.699 (1) Å, and O—H?O angles of 157 (2) and 168 (2)°. Seven leading intermolecular C—H?O interactions have H?O distances ranging from 2.41 to 2.76 Å and C—H?O angles ranging from 125 to 170°. The hydrogen bonds and C—H?O interactions form chain and ring patterns, resulting in a richly three‐dimensional network. The biphenyl twist angle is 67.2 (1)°. 相似文献
6.
A. A. A. Emara Jeanette A. Krause Bauer A. Galal 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(5):515-517
The title compound crystallizes as the monohydrate, [Co(SeO3)(NH3)4]NO3·H2O. The crystallographic mirror symmetry coincides with the molecular symmetry; the mirror plane passes through the cation, anion and water molecule. The CoN4O2 octahedron is distorted, with the selenito group acting as a bidentate ligand through two bridging O atoms to the cobalt. The coordinated Se—O distance is 1.742 (2) Å, whereas the uncoordinated Se—O distance is 1.646 (3) Å. A three‐dimensional hydrogen‐bonded network exists between [Co(SeO3)(NH3)4]NO3 and the water molecule. The nitrate anion and water molecule form open pores in the structure when hydrogen bonded to two neighboring [Co(SeO3)(NH3)4]+ cations. Selenium participates in two types of relatively close intermolecular interactions with neighboring charged species (Se?N1 and Se?O3), but does not participate in an interaction with a neighboring O2 atom, the nearest contact distance being 4.638 (3) Å. 相似文献
7.
Roger E. Gerkin 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):1218-1219
The title compound, C11H15NO2, crystallized in the centrosymmetric space group P21/n with one molecule in the asymmetric unit. There is a single intermolecular hydrogen bond, in which the Ndonor?Oacceptor distance is 3.0374 (11) Å and the N—H?O angle is 171.0 (12)°. The single intramolecular hydrogen bond has an Odonor?Oacceptor distance of 2.6279 (11) Å and an O—H?O angle of 161.8 (14)°. The four leading intermolecular C—H?O interactions have H?O distances ranging from 2.52 to 2.65 (2) Å and C—H?O angles ranging from 125.2 (9) to 143°. Chains of interactions form two‐dimensional networks. 相似文献
8.
Masood Parvez Kristin Braitenbach 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):1216-1217
The structure of {3‐[(4‐fluorophenyl)methyl]‐1H‐benzimidazol‐2‐ylidene}{1‐[2‐(4‐methoxyphenyl)ethyl]‐4‐piperidin‐1‐io}ammonium tetrachlorocuprate(II), (C28H33FN4O)[CuCl4], contains diprotonated cations of astemizole hydrogen bonded to three Cl atoms in two different CuCl42? anions, with Cl?N distances in the range 3.166 (4)–3.203 (4) Å. The geometry around copper is flattened tetrahedral with significantly different Cu—Cl distances which lie in the range 2.1968 (14)–2.2861 (12) Å. The phenylethyl C atoms of the (4‐methoxyphenyl)ethyl group are disordered indicating the presence of two conformers in the crystals. 相似文献
9.
Christopher Glidewell George Ferguson Richard M. Gregson Alan J. Lough 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):174-176
The title compound, [Ni(C7H5O3)2(C10H24N4)], contains octahedral NiII in a centrosymmetric trans configuration with Ni—N distances of 2.0637 (17) and 2.0699 (16) Å and an Ni—O distance of 2.1100 (14) Å. The molecules are linked by a single type of O—H?O hydrogen bond [O?O 2.618 (2) Å and O—H?O 161°] into two‐dimensional sheets; a singletype of N—H?O hydrogen bond [N?O 2.991 (2) Å and N—H?O 139°] links these sheets into a three‐dimensional framework. 相似文献
10.
Manfredo Hrner Ivan Carlos Casagrande Herton Fenner Jrg Daniels Johannes Beck 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(10):m424-m426
In the title complex, [Au(C12H8N5O4)(C18H15P)], the coordination geometry about the AuI ion is linear, with one deprotonated 1,3‐bis(4‐nitrophenyl)triazenide ion, [O2NC6H4N=N–NC6H4NO2]−, acting as a monodentate ligand (two‐electron donor), and one neutral triphenylphosphine molecule completing the metal coordination. The triazenide ligand is almost planar (r.m.s. deviation = 0.0767 Å), with the largest interplanar angle being 11.6 (7)° between the phenyl ring of one of the terminal 4‐nitrophenyl substituents and the plane defined by the N=N—N triad. The Au—N and Au—P distances are 2.108 (5) and 2.2524 (13) Å, respectively. Pairs of molecules generated by centrosymmetry are associated into a supramolecular array via intermolecular C—H⋯O interactions, and N⋯C and N⋯O π–π interactions. 相似文献
11.
The Crystal Structure of the 2:1 Addition Compound between Antimony Trichloride and Diphenyl, 2SbCl3 · (C6H5)2 The 2:1 adduct of antimony trichloride with diphenyl, 2SbCl3 · (C6H5)2, crystallizes in the triclinic space group P1 with a = 13.498(5) Å, b = 7.884(2) Å, c = 9.341(3) Å, α = 86.40(2)°, β = 110.05(3)0, γ = 91.41(2)° and Z = 2. Each SbCl3 molecule points to a phenyl ring of the diphenyl molecule. The distances from the two independent Sb atoms to the phenyl ring planes differ (3.26 and 3.08 Å). The torsion angle between the phenyl ring planes within the diphenyl molecule is 40.5°. The mean Sb? Cl bond distance is 2.39 Å. Longer Sb…Cl contacts of 3.44 to 3.46 Å and the π-donor-acceptor interactions complete the distorted octahedral coordination, and ψ-octahedral coordination respectively, of the Sb atoms. 相似文献
12.
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
13.
Masood Parvez Shaun T. Mesher Peter D. Clark 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(5):574-576
The structure of 2,5‐bis(methylthio)‐1,4‐benzoquinone, C8H8O2S2, is composed of an essentially planar centrosymmetric benzoquinone substituted with two methylthio groups. The important bond distances are S—Csp3 1.788 (2) and S—Csp2 1.724 (2) Å, and the two Csp2—Csp2 distances are 1.447 (3) and 1.504 (3) Å, which differ significantly. There are short S?S interactions of 3.430 (1) Å and Csp2—H?O‐type contacts forming a dimeric motif with graph set R22(8). The structure of 2‐methyl‐3‐(methylsulfonyl)benzo[b]thiophene, C10H10O2S2, is composed of an essentially planar benzothiophene moiety substituted with methyl and methylsulfonyl groups. The mean values of the important bond distances are endocyclic S—Csp2 1.734 (3), S=O 1.434 (4) and C—Caromatic 1.389 (10) Å. The exocyclic S—Csp2 and S—Csp3 distances are 1.759 (4) and 1.763 (5) Å, respectively. 相似文献
14.
Lars G. J. Hammarstrm Tao Zhang Jos Giralds Mark L. McLaughlin Damon R. Billodeaux Frank R. Fronczek 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):1484-1486
The carboxy group of 2‐methyl‐N‐[(2‐nitrophenyl)sulfonyl]alanine, C10H12N2O6S, forms centrosymmetric hydrogen‐bonded dimers with an O?O distance of 2.629 (2) Å and an intramolecular N—H?O(nitro) hydrogen bond N?O distance of 2.823 (2) Å. 1‐[(2‐Nitrophenyl)sulfonylamino]cyclohexanecarboxylic acid, C13H16N2O6S, has Z′ = 2 and forms similar interactions. 相似文献
15.
N. V. Pervukhina N. V. Podberezskaya L. G. Lavrenova 《Journal of Structural Chemistry》1995,36(1):138-145
The crystal structure of monoaquatetra(3,5-dimethylpyrazole)copper(II) nitrate [Cu(C5H8N2)4(H2O)]×(NO3)2 is determined (Syntex P21 automated diffractometer, θ/2θ scan mode within the 2θ range 3–55° at a variable rate, Vmin=5 deg/min, λMoKα graphite monochromator, 5170/2349 measured/observed Ihk1, absorption taken into account experimentally, Raniso=0.069). The parameters of the monoclinic unit cell are as follows: a=23.569(4), b=8.177(2), c=17.250(6) Å, β=121.65(2)°, V=2830(2) Å3, Z=4C20H34CuN10O7, dcalc=1.388 g/cm3. The space group P21 was chosen by the process of structure solution and refinement. The structure is of island type. The complex cations [CuL4(H2O)]2+ and the (NO3)? anions form mixed layers in the planes parallel to (010) at y?0.36 and 0.87. The central atoms of two crystallographically independent complex cations [CuL4(H2O)]2+ are surrounded with five atoms (OH 2 O+4N) with average Cu?OH 2 O and Cu?N distances of 2.23(2) and 2.04(4), respectively, which form distorted trigonal bipyramids. The average bond lengths in the pyrazole rings are the following: N?N=1.40, N?C=1.40, (C?C)ring=1.42, and Cring?CMe=1.50 Å. 相似文献
16.
John C. Barnes Timothy J. R. Weakley 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):e346-e347
In the title compound, C2H10N22+·2C3H3O4?·H2O, the hydrogen malonate anion has an intramolecular O—H?O hydrogen bond of 2.430 (2) Å. The water molecule lies on a twofold axis and connects the anions into pairs through hydrogen bonds of 2.734 (1) Å. The ethylenediammonium cation lies across an inversion centre. Each of the ammonium protons is involved in hydrogen bonding to an anion or a water molecule [N?O 2.815 (2)–2.875 (2) Å]. 相似文献
17.
Jianli Lin Deping Cheng Yueqing Zheng Duanjun Xu Yuanzhi Xu 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(5):523-524
In the title MnII complex, [Mn2(C10H2O8)(H2O)10]·H2O, two independent binuclear molecules bridged by the 1,2,4,5‐benzenetetracarboxyl anion exist in a unit cell, with each anion lying about an inversion centre. One of the Mn—Owater distances [2.2922 (13) Å] is significantly longer than the MnII—Owater distances reported so far for MnII complexes and very close to the Mn—Owater distances found in the axial direction of MnIII complexes. 相似文献
18.
Dirk Wulff‐Molder Manfred Meisel 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(1):33-34
In the title complex, tetraphenylphosphonium μ4‐nitrato‐κ4O‐cyclo‐tetrakis(μ‐acetato‐O:O′)tetra‐μ‐oxo‐tetrakis[oxovana‐dium(V)], the anion lies about a twofold axis and consists of the cyclic [V4O8] unit coordinated by four acetato ligands with interatomic V?V distances of 3.269 (1) and 3.273 (1) Å. The double‐bonded O atom [N=O 1.102 (6) and N—O 1.268 (4) Å] of the nitrato ligand links the four V atoms with V—O bond distances of 2.613 (2) and 2.813 (2) Å. The negative charge of the complex is balanced by tetraphenylphosphonium cations occupying the Na positions in the NaCl‐type ionic packing of the structure. 相似文献
19.
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
20.
Xiao‐Li Gao Yi‐Bin Wei Yan‐Ping Li Pin Yang 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(1):m10-m12
In the title compound, [CuCl(C6H6N4)(H2O)][Cu(C4H5NO4)Cl]·H2O, the CuII atom in the cation is coordinated by one Cl− ion, two N atoms of the 2,2′‐biimidazole ligand and one aqua ligand. Within the anion, the CuII atom is bonded to one Cl− ion, and one N and two O atoms of the iminodiacetate ligand. Neighbouring cations and anions are connected to each other by Cu·Cl semi‐coordination bonds of 2.830 (12) and 3.071 (12) Å, forming a Cu2Cl2 rectangular unit. The dinuclear units further link into a polymeric chain along the a axis through Cu·Oaqua interactions of 2.725 (3) Å. Including the long coordination bonds, the geometries around the Cu atoms in the cation and anion are square‐pyramidal and distorted octahedral, respectively. 相似文献