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1.
Gordana Pavlovi Zora Popovi
eljka Soldin Dubravka Matkovi‐alogovi 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(1):61-63
The Hg atom in the title monomeric complex, dichlorobis(3‐imidazolium‐2‐thiolato‐S)mercury(II), [HgCl2(C3H4N2S)2], is four‐coordinate having an irregular tetrahedral geometry composed of two Cl atoms [Hg—Cl 2.622 (2) and 2.663 (2) Å] and two thione S atoms [Hg—S 2.445 (2) and 2.462 (2) Å]. The monodentate thione ligand adopts a zwitterionic form and exists as the 3‐imidazolium‐2‐thiolate ion. The bond angle S1—Hg—S2 of 130.87 (8)° has the greatest deviation from ideal tetrahedral geometry. Intermolecular hydrogen bonds between two of the four N—H groups and one of the Cl atoms [3.232 (8) and 3.238 (7) Å] stabilize the crystal structure, while the other two N—H groups contribute through the formation of N—H?Cl intramolecular hydrogen bonds with the other Cl atom [3.121 (7) and 3.188 (7) Å]. 相似文献
2.
Pierre Morel Paul Schaffer James F. Britten John F. Valliant 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(12):m601-m604
The title compounds, bis[1,2‐dicarba‐closo‐dodecaboran(12)‐1‐yl]mercury(II) dichloromethane solvate, [Hg(C2B10H11)2]·CH2Cl2, (I), and bis[1,12‐dicarba‐closo‐dodecaboran(12)‐1‐yl]mercury(II) tetrahydrofuran solvate, [Hg(C2B10H11)2]·C4H8O, (II), were prepared in excellent yields using a robust synthetic procedure involving the reaction of HgCl2 with the appropriate monolithiocarborane. X‐Ray analysis of the products revealed strong interactions between the Hg atoms in both complexes and the respective lattice solvent. The distances between the HgII centers and the Cl atoms of the dichloromethane solvent molecule in the ortho‐carborane derivative, (I), and the O atom of the tetrahydrofuran molecule in the para‐carborane complex, (II), are shorter than the sums of the van der Waals radii for Hg and Cl (3.53 Å), and Hg and O (3.13 Å), respectively, indicating moderately strong interactions. There are two crystallographically independent molecules in the asymmetric unit of both compounds, which, in each case, are related by differing relative positions of the cages. 相似文献
3.
Alexander S. Lyakhov Pavel N. Gaponik Michail M. Degtyarik Vadim E. Matulis Vitaly E. Matulis Ludmila S. Ivashkevich 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(3):m90-m92
In the crystal structure of the title compound, [Cu3Cl6(C4H6N4)4]n, there are three Cu atoms, six Cl atoms and four 2‐allyltetrazole ligands in the asymmetric unit. The polyhedron of one Cu atom adopts a flattened octahedral geometry, with two 2‐allyltetrazole ligands in the axial positions [Cu—N4 = 1.990 (2) and 1.991 (2) Å] and four Cl atoms in the equatorial positions [Cu—Cl = 2.4331 (9)–2.5426 (9) Å]. The polyhedra of the other two Cu atoms have a square‐pyramidal geometry, with three basal sites occupied by Cl atoms [Cu—Cl = 2.2487 (9)–2.3163 (8) and 2.2569 (9)–2.3034 (9) Å] and one basal site occupied by a 2‐allyltetrazole ligand [Cu—N4 = 2.028 (2) and 2.013 (2) Å]. A Cl atom lies in the apical position of either pyramid [Cu—Cl = 2.8360 (10) and 2.8046 (9) Å]. The possibility of including the tetrazole N3 atoms in the coordination sphere of the two Cu atoms is discussed. Neighbouring copper polyhedra share their edges with Cl atoms to form one‐dimensional polymeric chains running along the a axis. 相似文献
4.
Konstantin V. Domasevitch 《Acta Crystallographica. Section C, Structural Chemistry》2012,68(7):m169-m172
In the title compound, (C6H8N4)[AuCl4]Cl, the 4,4′‐bi(1H‐pyrazol‐2‐ium) dication, denoted [H2bpz]2+, is situated across a centre of inversion, the [AuCl4]− anion lies across a twofold axis passing through Cl—Au—Cl, and the Cl− anion resides on a twofold axis. Conventional N—H...Cl hydrogen bonding [N...Cl = 3.109 (3) and 3.127 (3) Å, and N—H...Cl = 151 and 155°] between [H2bpz]2+ cations (square‐planar node) and chloride anions (tetrahedral node), as complementary donors and acceptors of four hydrogen bonds, leads to a three‐dimensional binodal four‐connected framework with cooperite topology (three‐letter notation pts). The framework contains channels along the c axis housing one‐dimensional stacks of square‐planar [AuCl4]− anions [Au—Cl = 2.2895 (10)–2.2903 (16) Å; interanion Au...Cl contact = 3.489 (2) Å], which are excluded from primary hydrogen bonding with the [H2bpz]2+ tectons. 相似文献
5.
Gordana Pavlovi Zora Popovi
eljka Soldin Dubravka Matkovi‐alogovi 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):801-803
The reaction of 1‐methyl‐1,3‐imidazole‐2‐thione (meimtH) with mercury(II) iodide in methanol in a 2:1 molar ratio resulted in the formation of single crystals of the title compound, [HgI2(C4H6N2S)2]. The Hg atom is coordinated by two I [2.7809 (9) and 2.7999 (8) Å] and two thione S atoms [2.520 (3) and 2.576 (3) Å] with irregular tetrahedral coordination geometry. The NH groups of the imidazole ring take part in intra‐ and intermolecular hydrogen bonds with I atoms [N?I 3.596 (8) and 3.611 (9) Å, respectively] joining molecules into infinite chains parallel to the z axis. 相似文献
6.
Dmitry O. Ivashkevich Alexander S. Lyakhov Dariya S. Pytleva Sergei V. Voitekhovich Pavel N. Gaponik 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(6):m221-m223
In the title compound, [Cu2Cl4(C6H10N8)2]n, the ligand has C2 symmetry, and the Cu and Cl atoms lie on a mirror plane. The coordination polyhedron of the Cu atom is a distorted square pyramid, with the basal positions occupied by two N atoms from two different ligands [Cu—N = 2.0407 (18) Å] and by the two Cl atoms [Cu—Cl = 2.2705 (8) and 2.2499 (9) Å], and the apical position occupied by a Cl atom [Cu—Cl = 2.8154 (9) Å] that belongs to the basal plane of a neighbouring Cu atom. The [CuCl2(C6H10N8)]2 units form infinite chains extending along the a axis via the Cl atoms. Intermolecular C—H⃛Cl contacts [C⃛Cl = 3.484 (2) Å] are also present in the chains. The chains are linked together by intermolecular C—H⃛N interactions [C⃛N = 3.314 (3) Å]. 相似文献
7.
Chang‐Kun Xia Quan‐Zheng Zhang Shu‐Mei Chen Xiang He Can‐Zhong Lu 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(4):m203-m205
The title compound, (C12H11N3)2[Cd2Cl8], consists of two discrete 2‐(3‐pyridinio)benzimidazolium cations and one [Cd2Cl8]4− anion. The dimeric [Cd2Cl8]4− anion lies about an inversion centre and consists of two distorted [CdCl5] trigonal bipyramids which share a common edge. The two Cd atoms are each coordinated by two μ‐Cl atoms and three terminal Cl atoms, with a Cd·Cd separation of 3.9853 (6) Å. The packing displays two‐dimensional hydrogen‐bonded sheets, which are further linked by C—H·Cl contacts and π–π stacking interactions to yield a three‐dimensional network. 相似文献
8.
Olga M. Nazarenko Eduard B. Rusanov Alexander N. Chernega Konstantin V. Domasevitch 《Acta Crystallographica. Section C, Structural Chemistry》2013,69(3):232-236
In poly[[bis(μ‐4,4′‐bi‐1H‐pyrazole‐κ2N2:N2′)bis(3‐carboxyadamantane‐1‐carboxylato‐κO1)cobalt(II)] dihydrate], {[Co(C12H15O4)2(C6H6N4)2]·2H2O}n, (I), the Co2+ cation lies on an inversion centre and the 4,4′‐bipyrazole (4,4′‐bpz) ligands are also situated across centres of inversion. In its non‐isomorphous cadmium analogue, {[Cd(C12H15O4)2(C6H6N4)2]·2H2O}n, (II), the Cd2+ cation lies on a twofold axis. In both compounds, the metal cations adopt an octahedral coordination, with four pyrazole N atoms in the equatorial plane [Co—N = 2.156 (2) and 2.162 (2) Å; Cd—N = 2.298 (2) and 2.321 (2) Å] and two axial carboxylate O atoms [Co—O = 2.1547 (18) Å and Cd—O = 2.347 (2) Å]. In both structures, interligand hydrogen bonding [N...O = 2.682 (3)–2.819 (3) Å] is essential for stabilization of the MN4O2 environment with its unusually high (for bulky adamantanecarboxylates) number of coordinated N‐donor co‐ligands. The compounds adopt two‐dimensional coordination connectivities and exist as square‐grid [M(4,4′‐bpz)2]n networks accommodating monodentate carboxylate ligands. The interlayer linkage is provided by hydrogen bonds from the carboxylic acid groups via the solvent water molecules [O...O = 2.565 (3) and 2.616 (3) Å] to the carboxylate groups in the next layer [O...O = 2.717 (3)–2.841 (3) Å], thereby extending the structures in the third dimension. 相似文献
9.
J. Zukerman‐Schpector Ionel Haiduc Robinson L. Camillo Joo V. Comasseto Rodrigo L. O. R. Cunha I. Caracelli 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(6):749-750
The primary geometry about the TeIV atom in the title compound, [TeCl2(C8H6Cl)(C3H5O)] or C11H11Cl3OTe, is a pseudo‐trigonal‐bipyramidal arrangement, with two Cl atoms in apical positions, and the lone pair of electrons and C atoms in the equatorial plane. The TeIV atom is involved in three secondary interactions, two intramolecular [Te?O = 2.842 (3) Å and Te?Cl3 = 3.209 (1) Å] and one intermolecular [Te?Cl = 3.637 (1) Å], the latter giving rise to a helical chain. These helices are linked by C—H?O interchain interactions. 相似文献
10.
Dmitry O. Ivashkevich Mikhail M. Degtyarik Pavel N. Gaponik Alexander S. Lyakhov 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(5):m288-m289
The title polymeric compound, [CuCl2(C5H10N4)2]n, is the first structurally characterized complex with a bulky 1‐alkyltetrazole ligand. The coordination polyhedron of the Cu atom is an elongated octahedron. The equatorial positions of the octahedron are occupied by the two Cl atoms, with Cu—Cl distances of 2.2920 (8) and 2.2796 (9) Å, and by the two N‐4 atoms of the tetrazole ligands, with Cu—N distances of 2.023 (2) and 2.039 (2) Å. Two symmetry‐related Cl atoms occupy the axial positions, at distances of 2.8244 (8) and 3.0174 (8) Å from the Cu atom. The [CuCl2(C5H10N4)2] units form infinite chains extended along the b axis, linked together only by van der Waals interactions. The skeleton of each chain consists of Cu and Cl atoms. 相似文献
11.
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
12.
Jaromír Marek Pavel Kopel Zdenk Trvní
ek 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(12):m558-m560
In the crystal structure of the title compound, [N,N′‐bis(3‐aminopropyl)ethylenediamine‐κ4N,N′,N′′,N′′′][1,3,5‐triazine‐2,4,6(1H,3H,5H)‐trithionato(2−)‐κ2N,S]zinc(II) ethanol solvate, [Zn(C8H22N4)2(C3HN3S3)]·C2H6O, the ZnII atom is octahedrally coordinated by four N atoms [Zn—N = 2.104 (2)–2.203 (2) Å] of a tetradentate N‐donor N,N′‐bis(3‐aminopropyl)ethylenediamine (bapen) ligand and by two S and N atoms [Zn—S = 2.5700 (7) Å and Zn—N = 2.313 (2) Å] of a trithiocyanurate(2−) (ttcH2−) dianion bonded as a bidentate ligand in a cis configuration. The crystal structure of the compound is stabilized by a network of hydrogen bonds. 相似文献
13.
Cdric Desroches Lars
hrstrm 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(5):m190-m192
The title compound, [CoCl2(C5H5N)2(C12H6N2O2)]·2C5H5N, is a neutral CoII complex with two chloride anions coordinated in a cis fashion, two pyridine ligands in trans positions and a chelating 1,10‐phenanthroline‐5,6‐dione ligand that completes the octahedral coordination geometry. Two pyridine solvent molecules reside in channels (about 7 × 4 Å wide; the closest atom–atom distance within the channel is 10 Å). The three‐dimensional structure supporting these channels is held together by C—H...Cl [3.466 (8)–3.670 (9) Å] and C—H...O [3.014 (9)–3.285 (8) Å] hydrogen bonds, and can be viewed as a CsCl or bcu (body‐centred cubic) net. 相似文献
14.
Raúl Corzo‐Surez Isabel Díaz Santiago García‐Granda Vicente Fernndez 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):e385-e387
The crystal structures of the title compounds, (C2N3H8)2[CuCl4], (I), and (C8H14N4)[CuCl4], (II), have been studied by X‐ray diffraction. The structures consist of discrete [CuCl4]2? anions with two monoprotonated (C2N3H8)+ cations for (I) and a diprotonated (C8N4H14)2+ cation for (II). The [CuCl4]2? anions of both compounds have flattened tetrahedral geometries. There are several N—H?Cl weak bonds that join the [CuCl4]2? anions and the organic cations helping retain the pseudo‐tetrahedral geometries of the anions. 相似文献
15.
Dubravka Matkovi‐alogovi Draginja Mrvo‐Sermek Zora Popovi
eljka Soldin 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(2):m44-m46
The title compound, [Hg(C4H4N2S)(C4H3N2S)]2[HgBr4], consists of [Hg(pymt)(pymtH)]+ complex cations (pymtH is pyrimidine‐2‐thione) lying across twofold rotation axes in space group Fddd, with linearly coordinated mercury at an Hg—S distance of 2.357 (3) Å, and [HgBr4]2− anions lying at sites of 222 symmetry. The Hg atom is additionally coordinated by two N and two Br atoms, forming a 2+4 effective coordination sphere. The protonated ligand is connected via N—H⋯N hydrogen bonds to the neighbouring unprotonated ligand, thus forming infinite chains of cations. 相似文献
16.
Yaar Dürüst Cevher Altu etin Bozkurt Frank R. Fronczek 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(9):m442-m444
The title compound, [Hg(C8H5N2S2)2], has crystallographic C2 symmetry. The Hg—S distance is 2.353 (2) Å and the coordination geometry is linear, with an S—Hg—S angle of 179.77 (18)°. The exocyclic C—S single‐bond distance is 1.749 (6) Å, and intramolecular Hg⋯N distances of 2.857 (4) Å exist, as well as secondary Hg⋯C and S⋯S contacts. 相似文献
17.
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
18.
Thomas Gelbrich Terence L. Threlfall Michael B. Hursthouse 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(8):o470-o472
The title compound anilinium chloride–4‐bromo‐N‐phenylbenzenesulfonamide (1/1), C6H8N+·Cl−·C12H10BrNO2S, displays a hydrogen‐bonded ladder motif with four independent N—H⋯Cl bonds in which both the NH group of the sulfonamide molecule and the NH3 group of the anilinium ion [N⋯Cl = 3.135 (3)–3.196 (2) Å and N—H⋯Cl = 151–167°] are involved. This hydrogen‐bonded chain contains two independent R42(8) rings and each chloride ion acts as an acceptor of four hydrogen bonds. 相似文献
19.
Yoshiyuki Kani Shigeru Ohba Sayo Ito Yuzo Nishida 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(5):e195-e195
In the title dinuclear CuII compound, [Cu2Cl3(C19H19N3)3]ClO4·0.5H2O, the coordination geometry around the Cu atoms is square pyramidal, with the bridging Cl atom at the apical positions. The Cu—Cl—Cu angle is 136.9 (1)° and the Cu?Cu distance is 4.961 (1) Å. 相似文献
20.
Zora Popovi
eljka Soldin Gordana Pavlovi 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(7):m272-m274
The title compound, [Hg(C6H4NO2)I(C6H5NO2)], has twofold symmetry along the Hg—I bond. The HgII ion coordinates one I atom [at 2.6045 (4) Å], two N and two O atoms [at 2.298 (3) and 2.481 (2) Å] from one picolinate ion, and one picolinic acid molecule in a very irregular trigonal–bipyramidal coordination. The single hydroxy H atom required for chemical neutrality is both statistically (by crystal symmetry) and structurally disordered, and is involved in an intermolecular O—H⋯O hydrogen bond [O⋯O = 2.455 (4) Å], connecting the molecules into one‐dimensional infinite chains along the [101] direction. 相似文献