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1.
Christopher Glidewell George Ferguson Alan J. Lough 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):855-858
The title compound, 4,4′‐bipyridinium ethane‐1,2‐diyl‐1,2‐diphosphonate dihydrate, is a hydrated salt, C10H10N22+·C2H6O6P22?·2H2O, in which the components are linked by extensive hydrogen bonding. The cations and anions lie on inversion centres and with the water molecules each form separate one‐component one‐dimensional chains along [100]: the anions and the water molecules form a two‐component two‐dimensional substructure, (001) sheets, while the cations and anions form a second two‐component two‐dimensional substructure, (011) sheets. All three components combine to form a three‐dimensional framework. 相似文献
2.
Marina S. Fonari Yurii A. Simonov Mark Botoshansky Eduard V. Ganin Arkadii A. Yavolovskii 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(2):o88-o90
In the title hydrated adduct, 1,4,10,13‐tetraoxa‐7,16‐diazoniacyclooctadecane bis(4‐aminobenzenesulfonate) dihydrate, C12H28N2O42+·2C6H6NO3S−·2H2O, formed between 7,16‐diaza‐18‐crown‐6 and the dihydrate of 4‐aminobenzenesulfonic acid, the macrocyclic cations lie across centres of inversion in the orthorhombic space group Pbca. The anions alone form zigzag chains, and the cations and anions together form sheets that are linked via water molecules and anions to form a three‐dimensional grid. 相似文献
3.
Christian Nther Jan Greve 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):377-378
In the structure of the title compound, [CuBr(C6H8N2)]n, each Cu2+ cation is surrounded by two 2,3‐dimethylpyrazine ligands and two Br? anions in a distorted tetrahedral arrangement. The Cu2+ cations and Br? anions form (Cu2Br2)2 rhomboid dimers located around a centre of inversion. The 2,3‐dimethylpyrazine ligands connect the Cu2+ cations in the dimers into sheets parallel to (010). 相似文献
4.
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
5.
Anwar Usman Suchada Chantrapromma Hoong‐Kun Fun Bo‐Long Poh Chatchanok Karalai 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(3):o136-o138
In the title 1/2/2 adduct, C4H12N22+·2C6H3N2O5?·2H2O, the dication lies on a crystallographic inversion centre and the asymmetric unit also has one anion and one water molecule in general positions. The 2,4‐dinitrophenolate anions and the water molecules are linked by two O—H?O and two C—H?O hydrogen bonds to form molecular ribbons, which extend along the b direction. The piperazine dication acts as a donor for bifurcated N—H?O hydrogen bonds with the phenolate O atom and with the O atom of the o‐nitro group. Six symmetry‐related molecular ribbons are linked to a piperazine dication by N—H?O and C—H?O hydrogen bonds. 相似文献
6.
Li‐Ping Lu Hong‐Mei Zhang Si‐Si Feng Miao‐Li Zhu 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(10):o740-o743
The crystal structures of N,N‐dimethylbiguanidium oxalate monohydrate, C4H13N52+·C2O42−·H2O, (I), and N,N‐dimethylbiguanidium sulfate monohydrate, C4H13N52+·SO42−·H2O, (II), show that both compounds contain the same N,N‐dimethylbiguanidium dication. In (I), two independent oxalate ions lie about inversion centres. Strong double hydrogen bonds, with D⋯A distances of 2.658 (2) and 2.830 (3) Å in (I), and 2.722 (3) and 2.815 (3) Å in (II), are present between N atoms of the N,N‐dimethylbiguanidium moieties and either the carboxylate group of the oxalate anion or the sulfate anion. 相似文献
7.
Uwe‐Christoph Knig Michael Berkei Frank Neikes Hans Preut Terence Nigel Mitchell 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(3):324-326
The single‐crystal X‐ray structure determinations of the title complexes, cis‐dichloro‐trans‐dimethyl‐cis‐bis(N‐methylpyrrolidin‐2‐one‐O)tin(IV), [Sn(CH3)2Cl2(C5H9NO)2], cis‐dibromo‐trans‐dimethyl‐cis‐bis(N‐methylpyrrolidin‐2‐one‐O)tin(IV), [SnBr2(CH3)2(C5H9NO)2], and cis‐diiodo‐trans‐dimethyl‐cis‐bis(N‐methylpyrrolidin‐2‐one‐O)tin(IV), [Sn(CH3)2I2(C5H9NO)2], show that those tin complexes in which coordination of the lactam ligand to SnIV is realized via oxygen exhibit a distorted octahedral geometry. 相似文献
8.
Alan R. Kennedy Fraser R. N. Waterson 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(11):o613-o615
The dichloromethane disolvate of 4,4′‐(azinodimethylene)dipyridinium chloranilate, C12H12N42+·C6Cl2O42−·2CH2Cl2, consists of one‐dimensional hydrogen‐bonded molecular tapes that propagate along the [10] direction. Both cations and anions lie across centres of inversion. The molecular tapes are planar but do not stack in the expected segregated manner, instead having chloranilate anions sandwiched between azine groups. 相似文献
9.
Amen Allah Hajem Basma Trojette Ahmed Driss Tahar Jouini 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):793-794
The title compound, N,N,N′,N′‐tetramethylethylenediammonium diaqua(arsenate)(hydrogen arsenate)dizinc(II), (C6H18N2)0.5[Zn2(AsO4)(HAsO4)(H2O)2], is a new zincoarsenate obtained by hydrothermal synthesis. The structure consists of infinite two‐dimensional anionic layers alternating with planes containing centrosymmetric organic diprotonated template N,N,N′,N′‐tetramethylethylenediammonium cations, [H3NC6H12NH3]2+. The latter are interconnected to the framework through hydrogen bonds. 相似文献
10.
Cengiz Arici Filiz Ercan Raif Kurtaran Orhan Atakol 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(7):812-814
In the title compounds, {2,2′‐[2,2‐dimethyl‐1,3‐propanediylbis(nitrilomethylidyne)]diphenolato‐κ4N,N′,O,O′}nickel(II), [Ni(C19H20N2O2)], and {2,2′‐[2,2‐dimethyl‐1,3‐propanediylbis(nitrilomethylidyne)]diphenolato‐κ4N,N′,O,O′}copper(II), [Cu(C19H20N2O2)], the NiII and CuII atoms are coordinated by two iminic N and two phenolic O atoms of the N,N′‐bis(salicylidene)‐2,2‐dimethyl‐1,3‐propanediaminate (SALPD2?, C17H16N2O22?) ligand. The geometry of the coordination sphere is planar in the case of the NiII complex and distorted towards tetrahedral for the CuII complex. Both complexes have a cis configuration imposed by the chelate ligand. The dihedral angles between the N/Ni/O and N/Cu/O coordination planes are 17.20 (6) and 35.13 (7)°, respectively. 相似文献
11.
Chong‐Hyeak Kim Sueg‐Geun Lee 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(7):m421-m423
The title compound, [Ni(C3H10N2)2(H2O)2](C6H6NO3S)2, contains alternating layers of sulfanilate anions and diaquabis(1,3‐propanediamine)nickel(II) cations. The Ni atom lies on an inversion centre and is hexacoordinated by the 1,3‐propanediamine ligands, which function as N,N′‐bidentate ligands, and the water molecules, which are in a trans arrangement. The sulfanilate anions are arranged in layers, with the sulfonate and amine groups directed towards opposite sides of the layer. The structure is stabilized by a network of hydrogen bonding between the O and N atoms of the sulfanilate anions, the water molecules, and the N atoms of the 1,3‐propanediamine ligands. 相似文献
12.
Viktor A. Tafeenko Olga V. Kaukova Rene Peschar Aleksandr V. Petrov Leonid A. Aslanov 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(10):m421-m423
The crystal structure of the title potassium salt, K+·C8HN4O2−, of the organic anion 3‐cyano‐4‐(dicyanomethylene)‐5‐oxo‐4,5‐dihydro‐1H‐pyrrol‐2‐olate shows that the dicyanomethylene moiety is able to accept an electron in the same way as does tetracyanoethylene, to yield the novel product. The organic anion is nearly planar, with deviations caused by steric crowding among the exocyclic cyano groups. The K+ cations lie within tricapped trigonal prisms that stack to form channels. The three‐dimensional structure is completed by the formation of hydrogen‐bonded chains by the anions. 相似文献
13.
John Reglinski Michelle K. Taylor Alan R. Kennedy 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(3):o169-o172
We have isolated and crystallographically characterized the three homologous compounds N,N′‐bis(2‐methoxybenzylidene)ethane‐1,2‐diamine (MeSalen), C18H20N2O2, N,N′‐bis(2‐methoxybenzylidene)propane‐1,3‐diamine (MeSalpr), C19H22N2O2, and N,N′‐bis(2‐methoxybenzylidene)butane‐1,4‐diamine (MeSalbu), C20H24N2O2. In contrast with MeSalpr, the molecules of MeSalen and MeSalbu, which have an even number of methylene units, have crystallographic symmetry. Comparing these methoxy‐substituted species with their hydroxy equivalents shows that the aryl rings rotate upon removal of the O—H⋯N hydrogen bonds. The packing of MeSalen and MeSalpr is controlled by C—H⋯π interactions, whereas that of MeSalbu has only van der Waals contacts. 相似文献
14.
Valiollah Mirkhani Reza Kia Sybolt Harkema 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):m343-m344
The 1:1 adduct of N,N′‐bis(diphenylmethylene)ethylenediamine (bz2en) with copper(I) chloride, viz. [Cu(C28H24N2)2][CuCl2], has been synthesized. The structure contains cationic moieties of CuI ions (Cu on a twofold axis) coordinated to four N atoms of two bz2en molecules (in a distorted tetrahedron) and linear dichlorocuprate(I) anions (with Cu on an inversion centre). These cations and anions are packed in columns along b. The packing of the cation and anion columns involves a significant C—H⋯Cl interaction and four short intermolecular C—H⋯π contacts, two of which are between cation columns. 相似文献
15.
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
16.
Georgina M. Rosair Dilip Kumar Dey Brajagopal Samanta Samiran Mitra 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(4):m266-m267
The structure of the title dimethyltin(IV) complex, [2‐(5‐bromo‐2‐oxidobenzylideneamino)benzoato‐κ3O,N,O′]dimethyltin(IV), [Sn(CH3)2(C14H8BrNO3)], features centrosymmetric dimers disposed about a central Sn2O2 core. Each Sn centre has seven‐coordinate pentagonal–bipyramidal geometry, taking into account two moderately long Sn—O contacts about an inversion centre [2.679 (4) and 2.981 (4) Å]. The methyl groups are in an axial orientation. 相似文献
17.
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
18.
Giuseppe Bruno Archimede Rotondo Lidia De Luca Silvio Sammartano Francesco Nicol 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(4):o287-o289
In the title compound, C6H18N22+·C4H4O42−·C4H6O4, the components lie on centres of symmetry in space group , such that the asymmetric unit contains three half‐molecules. Despite the different mode (with respect to other dicarboxylic acids) adopted by the intermolecular self‐interaction of succinic acid derivatives, the overall structure of the title compound consists of anionic layers that are typical of the packing structures exhibited by other dicarboxylic acid analogues. 相似文献
19.
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
20.
Russell G. Baughman Kenneth L. Martin Rajendra K. Singh James O. Stoffer 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(2):o103-o106
In 2,4‐dihydroxybenzaldehyde 2,4‐dinitrophenylhydrazone N,N‐dimethylformamide solvate {or 4‐[(2,4‐dinitrophenyl)hydrazonomethyl]benzene‐1,3‐diol N,N‐dimethylformamide solvate}, C13H10N4O6·C3H7NO, (X), 2,4‐dihydroxyacetophenone 2,4‐dinitrophenylhydrazone N,N‐dimethylformamide solvate (or 4‐{1‐[(2,4‐dinitrophenyl)hydrazono]ethyl}benzene‐1,3‐diol N,N‐dimethylformamide solvate), C14H12N4O6·C3H7NO, (XI), and 2,4‐dihydroxybenzophenone 2,4‐dinitrophenylhydrazone N,N‐dimethylacetamide solvate (or 4‐{[(2,4‐dinitrophenyl)hydrazono]phenylmethyl}benzene‐1,3‐diol N,N‐dimethylacetamide solvate), C19H14N4O6·C4H9NO, (XII), the molecules all lack a center of symmetry, crystallize in centrosymmetric space groups and have been observed to exhibit non‐linear optical activity. In each case, the hydrazone skeleton is fairly planar, facilitated by the presence of two intramolecular hydrogen bonds and some partial N—N double‐bond character. Each molecule is hydrogen bonded to one solvent molecule. 相似文献