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1.
Tetraammonium cadmium dihydrogenselenite(IV) diselenate(VI), (NH4)4Cd(HSeIVO3)2(SeVIO4)2, is the third example of a compound containing both hydrogen selenite and selenate anions, and has a new structure type. It contains kröhnkite‐like heteropolyhedral chains in which CdO6 octahedra are linked via bridging HSeO3 groups, having their remaining two trans apices decorated by SeO4 groups. The charge‐balancing NH4 groups are involved in weak hydrogen bonding, whereas the H atom of the HSeO3 group provides a strong hydrogen bond [O⋯O = 2.614 (5) Å]. The average Cd—O bond length is 2.298 Å. All atoms are on general positions except Cd (on ). Relations to the kröhnkite‐type compounds Na2Mg(SO3)·2H2O, Ba2CoCl2(SeO3)2 and Ba2Ca(HPO4)2(H2PO4)2, and to the mineral curetonite are discussed. Unit‐cell data are given for an isotypic MnII analogue. 相似文献
2.
Peter G. Jones Steffi Friedrichs 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(12):m623-m627
Bis(1,3‐thiazolidine‐2‐thione‐κS2)gold(I) bis(4‐chlorobenzenesulfonyl)amide, [Au(C3H5NS2)2](C12H8Cl2NS2O4), has no imposed symmetry. Classical N—H⋯N and N—H⋯O hydrogen bonds link the residues to form chains parallel to the b axis. Weaker interactions involve C—H⋯O, C—H⋯Au and a number of X⋯Cl contacts (X = Cl, S or Au) clustered in the region y ≃ . In bis(1‐methylimidazolidine‐2‐thione‐κS2)gold(I) bis(4‐iodobenzenesulfonyl)amide, [Au(C4H8N2S)2](C12H8I2NS2O4), the Au atom of the cation and the N atom of the anion lie on the twofold axis (0, y, ) in the space group C2/c. The formula unit forms a self‐contained ring with two symmetry‐equivalent N—H⋯O hydrogen bonds, and weak C—H⋯X (X = O, I or S), Au⋯I and I⋯I contacts are observed. In both compounds, the anions display extended conformations. 相似文献
3.
Regina H. P. Francisco M. Teresa do P. Gambardella Gerimrio F. de Sousa Anuar Abras 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):187-189
A thiosemicarbazone derivative, 2‐acetylpyridine 4‐phenylthiosemicarbazone, was prepared and complexed to Lewis acids, Sn(CH3)2X2, X = Cl and Br. The products, [SnX(C14H13N4S)(CH3)2], were characterized by single‐crystal X‐ray diffraction, and IR, NMR and Mössbauer spectroscopies. They are isomorphous and crystallize in the monoclinic space group P21/n. The structure determination revealed discrete neutral complexes with the SnIV atom in a distorted octahedral coordination geometry, with the halogeno ligand and the thiosemicarbazone derivative in the equatorial plane and the methyl groups in axial positions. 相似文献
4.
Alexander V. Virovets Vladimir P. Fedin Denis G. Samsonenko William Clegg 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(3):272-273
The title compound, hexaammonium tetra‐μ3‐selenido‐tetrakis(tricyanomolybdenum) hexahydrate, is isostructural with the Mo/S, W/S and W/Se analogues. The structure contains disordered cyclic hydrogen‐bonded [{(NH4)(H2O)}3]3+ cations and [Mo4Se4(CN)12]6? cluster anions with 3m symmetry. The cation assembly consists of alternating ammonium and water molecules linked by N—H?O hydrogen bonds. The anion has a typical cubane cluster structure. The cations and anions are linked together by hydrogen bonds involving the terminal N atoms of the CN groups. 相似文献
5.
A new compound, heptamagnesium bis(arsenate) tetrakis(hydrogenarsenate), Mg7(AsO4)2(HAsO4)4, was synthesized by a hydrothermal method. The structure is based on a three‐dimensional framework of edge‐ and corner‐sharing MgO6, MgO4(OH)2, MgO5, AsO3(OH) and AsO4 polyhedra. Average Mg—O and As—O bond lengths are in the ranges 2.056–2.154 and 1.680–1.688 Å, respectively. Each of the two non‐equivalent OH groups is bonded to both an Mg and an As atom. One OH group is involved in a very short hydrogen bond [O⋯O = 2.468 (3) Å]. The formula unit is centrosymmetric, with all atoms in general positions except for one Mg atom, which has site symmetry . The compound is isotypic with Mn7(AsO4)2(HAsO4)4 and M7(PO4)2(HPO4)4, where M is Fe, Co or Mn. 相似文献
6.
Ridha Ben Smail Tahar Jouini 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(5):i61-i62
The new title phosphate, silver trinickel phosphate bis(hydrogenphosphate), has been synthesized by the hydrothermal method. It has an alluaudite‐like structure but shows some differences owing to the presence of the H atoms. The structure is isomorphous with the compounds of general formula AM3(XO4)(HXO4)2 (A is Na or Ag, M is Co, Zn or Mn, and X is As or P), with the Ag atom, one Ni atom and one P atom lying on twofold axes. 相似文献
7.
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
8.
Karolina Schwendtner Uwe Kolitsch 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(9):i90-i93
Hydrothermally synthesized caesium gallium(III) hydrogen arsenate(V), CsGa(H1.5AsO4)2(H2AsO4), (I), and isotypic caesium chromium(III) hydrogen arsenate(V), CsCr(H1.5AsO4)2(H2AsO4), (II), represent a new structure type and stoichiometry among MI–MIII hydrogen arsenates. The crystal structure, determined from single‐crystal X‐ray diffraction data, is based on an infinite octahedral–tetrahedral chain and can be described as a decorated kröhnkite‐like chain. The chains extend parallel to [100] and are separated by ten‐coordinated Cs atoms. The hydrogen‐bonding scheme comprises one very short symmetry‐restricted hydrogen bond, with O⋯O distances of 2.519 (4) and 2.508 (4) Å in (I) and (II), respectively, and two further medium–strong hydrogen bonds, all of which reinforce the connections between adjacent chains. The average Ga—O and Cr—O bond lengths are 1.973 (15) and 1.980 (13) Å, respectively, and the average As—O bond lengths in the two protonated arsenate groups lie within a very narrow range [1.690 (18)–1.69 (3) Å]. The Cs atom is located on a centre of inversion, while the MIII and As2 atoms lie on twofold axes. Relationships to CaBa2(HPO4)2(H2PO4)2 and other compounds containing decorated kröhnkite‐type or kröhnkite‐like chains are discussed. 相似文献
9.
Thierry Loiseau Gerard Ferey 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):m315-m317
Crystals of the oxyfluorinated gallium phosphate MIL‐12 (digallium phosphate pentafluoride propane‐1,3‐diaminium), (C3H12N2)[Ga2(PO4)F5], were synthesized hydrothermally at 453 K under autogenous pressure using propane‐1,3‐diamine as the structure‐directing agent. The title compound is isomorphous with the aluminium phosphate having the MIL‐12 structural type. The structure is built up from a two‐dimensional anionic network intercalated by the diamine species. The inorganic layer is composed of corner‐linked GaO2F4 octahedra and PO4 tetrahedra. The diprotonated diamine group is located on a mirror plane, between the inorganic sheets, and interacts preferentially via hydrogen bonding through the ammonium groups and the terminal F and bridging O atoms of the inorganic layer. One of the Ga atoms lies on an inversion centre and the other lies on a mirror plane, as does the P atom, two of the phosphate O atoms and one of the F atoms. 相似文献
10.
Oleg Kasyan Iris Thondorf Michael Bolte Vitaly Kalchenko Volker Bhmer 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(5):o289-o294
The structures of three syn‐1,3‐dialkoxythiacalix[4]arenes with unusual conformations in the solid state are reported. The pinched cone conformation of syn‐22,42‐dihydroxy‐12,32‐bis(prop‐2‐enyloxy)thiacalix[4]arene, C30H24O4S4, (3a), is stabilized by two intramolecular hydrogen bonds, remarkably formed from both OH groups to the same ether O atom. In syn‐22,42‐dihydroxy‐15,25,35,45‐tetranitro‐12,32‐bis(prop‐2‐enyloxy)thiacalix[4]arene acetone disolvate, C30H20N4O12S4·2C3H6O, (3b1), the molecule is found in the 1,3‐alternate conformation. The crystallographic C2 symmetry is due to a twofold rotation axis running through the centre of the calixarene ring. The hydroxy groups cannot form intramolecular hydrogen bonds as in (3a) and both are bonded to an acetone solvent molecule. The molecule of the pseudo‐polymorph of (3b1) in which the same compound crystallized without any solvent, viz. (3b2), is located on a crystallographic mirror plane. Only one of the two hydroxy groups forms a hydrogen bond, and this is with a nitro group of a neighbouring molecule as acceptor. Molecular mechanics calculations for syn‐1,3‐diethers suggest a preference of the 1,3‐alternate over the usual cone conformation for thiacalix[4]arene versus calix[4]arene and for para‐nitro versus para‐H derivatives. 相似文献
11.
Fang‐Fang Jian Yu‐Ping Tong Hai‐Lian Xiao Ping‐Ping Sun Pu‐Su Zhao 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):m348-m349
The title compound, [Co2(H2PO4)4(C10H8N2)2], is dinuclear, centred on a symmetry centre of the P space group. Each Co atom has a distorted square‐pyramidal coordination involving two N atoms from a bipyridine molecule and three O atoms from two bridging and one terminal dihydrogen orthophosphate anion. The molecular structure and packing are stabilized by intermolecular hydrogen‐bond interactions. 相似文献
12.
13.
Masato Hashimoto Michiru Kubata Atsushi Yagasaki 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):1411-1412
The title compound, triammonium cis‐diaqua‐cis‐dioxo‐trans‐disulfatovanadate 1.5‐hydrate, was obtained by oxidizing VIV to VV in a 2 M sulfuric acid solution of vanadyl sulfate and adding ammonium sulfate. Here, the V atom is sandwiched by two sulfate groups by corner‐sharing to form a discrete [VO2(SO4)2(OH2)2]3? anion. The water molecules occupy cis positions in the equatorial plane of the vanadium octahedron. 相似文献
14.
Ahmet Bulut Hasan budak Gzde Sezer Canan Kazak 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(5):m228-m230
In the crystal structure of the title compound, bis(2‐aminopyrimidine‐κN1)bis[6‐methyl‐1,2,3‐oxathiazin‐4(3H)‐one 2,2‐dioxide(1−)‐κ2N3,O4]copper(II), [Cu(C4H4NO4S)2(C4H5N3)2], the first mixed‐ligand complex of acesulfame, the CuII centre resides on a centre of symmetry and has an octahedral geometry that is distorted both by the presence of four‐membered chelate rings and by the Jahn–Teller effect. The equatorial plane is formed by the N atoms of two aminopyrimidine (ampym) ligands and by the weakly basic carbonyl O atoms of the acesulfamate ligands, while the more basic deprotonated N atoms of these ligands are in the elongated axial positions with a strong misdirected valence. The crystal is stabilized by pyrimidine ring stacking and by intermolecular hydrogen bonding involving the NH2 moiety of the ampym ligand and the carbonyl O atom of the acesulfamate moiety. 相似文献
15.
Susan A. Bourne Katherine De Villiers Timothy J. Egan 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(2):o53-o57
The structures of three compounds with potential antimalarial activity are reported. In N,N‐diethyl‐N′‐(7‐iodoquinolin‐4‐yl)ethane‐1,2‐diamine, C15H20IN3, (I), the molecules are linked into ribbons by N—H⋯N and C—H⋯N hydrogen bonds. In N‐(7‐bromoquinolin‐4‐yl)‐N′,N′‐diethylethane‐1,2‐diamine dihydrate, C15H20BrN3·2H2O, (II), two aminoquinoline molecules and four water molecules form an R54(13) hydrogen‐bonded ring which links to its neighbours to form a T5(2) one‐dimensional infinite tape with pendant hydrogen bonds to the aminoquinolines. The phosphate salt 7‐chloro‐4‐[2‐(diethylammonio)ethylamino]quinolinium bis(dihydrogenphosphate) phosphoric acid, C15H22ClN32+·2H2PO4−·H3PO4, (III), was prepared in order to establish the protonation sites of these compounds. The phosphate ions form a two‐dimensional hydrogen‐bonded sheet, while the aminoquinoline cations are linked to the phosphates by N—H⋯O hydrogen bonds from each of their three N atoms. While the conformation of the quinoline region hardly varies between (I), (II) and (III), the amino side chain is much more flexible and adopts a significantly different conformation in each case. Aromatic π–π stacking interactions are the only supramolecular interactions seen in all three structures. 相似文献
16.
Matthias W. Esterhuysen Helgard G. Raubenheimer 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(7):m286-m288
The title compound, tetracarbonyl‐1κ4C‐tris(triphenylphosphino)‐1κP,2κP,3κP‐triangulo‐chromiumdigold(Au—Au)(2 Cr—Au) tetrahydrofuran solvate, [Au2Cr(C18H15P)3(CO)4]·C4H8O, is a stable isolobal analogue of the extremely labile [(η2‐H2)CrLn–1] molecular hydrogen complex (n = 6; L is a neutral ligand, e.g. CO or PPh3), and features the shortest known separation [2.6937 (2) Å] between two Au atoms in a triangular heteronuclear metal‐cluster framework. 相似文献
17.
Jing Li Guang‐Sheng Guo Yong‐Ge Wei Ying Wang Hong‐You Guo 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(2):m87-m89
An organic–inorganic hybrid compound, poly[bis[(pyridine‐4‐carboxylato)zinc(II)]‐di‐μ3‐phosphato], [Zn2(C6H5NO2)2(HPO4)2], has been hydrothermally synthesized and structurally characterized. The crystal structure consists of two types of two‐dimensional layers of zinc hydrogenphosphate templated by protonated isonicotinate (ina) (or 4‐pyridinecarboxylic acid), which contain two crystallographically independent centrosymmetric [Zn2(ina)2(HPO4)2] dimers as basic building units. The layers are interconnected via hydrogen‐bonding and heterocyclic ring interactions. 相似文献
18.
Fahimeh Sabbaghi Mehrdad Pourayoubi Marek Ne
as Krishnan Damodaran 《Acta Crystallographica. Section C, Structural Chemistry》2019,75(1):77-84
The crystal structures of two single‐enantiomer amidophosphoesters with an (O)2P(O)(N) skeleton, i.e. diphenyl [(R)‐(+)‐α‐methylbenzylamido]phosphate, (I), and diphenyl [(S)‐(?)‐α‐methylbenzylamido]phosphate, (II), both C20H20NO3P, are reported. In both structures, chiral one‐dimensional hydrogen‐bonded architectures, along [010], are mediated by N—H…OP interactions. The statistically identical assemblies include the noncentrosymmetric graph‐set motif C(4) and the compounds crystallize in the chiral space group P21. As a result of synergistic co‐operation from C—H…O interactions, a two‐dimensional superstructure is built including a noncentrosymmetric R44(22) hydrogen‐bonded motif. A Cambridge Structural Database survey was performed on (O)2P(O)(N)‐based structures in order to review the frequency of space groups observed in this family of compounds; the hydrogen‐bond motifs in structures with chiral space groups and the types of groups inducing chirality are discussed. The 2,3JX–P (X = H or C) coupling constants from the NMR spectra of (I) and (II) have been studied. In each compound, the two diastereotopic C6H5O groups are different, which is reflected in the different chemical shifts and some coupling constants. 相似文献
19.
Robert T. Stibrany Harvey J. Schugar Joseph A. Potenza 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):o354-o357
Two of the title compounds, namely (E)‐1,2‐bis(1‐methylbenzimidazol‐2‐yl)ethene, C18H16N4, (Ib), and (E)‐1,2‐bis(1‐ethylbenzimidazol‐2‐yl)ethene, C20H20N4, (Ic), consist of centrosymmetric trans‐bis(1‐alkylbenzimidazol‐2‐yl)ethene molecules, while 3‐ethyl‐2‐[(E)‐2‐(1‐ethylbenzimidazol‐2‐yl)ethenyl]benzimidazol‐1‐ium perchlorate, C20H21N4+·ClO4−, (II), contains the monoprotonated analogue of compound (Ic). In the three structures, the benzimidazole and benzimidazolium moieties are essentially planar; the geometric parameters for the ethene linkages and their bonds to the aromatic groups are consistent with double and single bonds, respectively, implying little, if any, conjugation of the central C=C bonds with the nitrogen‐containing rings. The C—N bond lengths in the N=C—N part of the benzimidazole groups differ and are consistent with localized imine C=N and amine C—N linkages in (Ib) and (Ic); in contrast, the corresponding distances in the benzimidazolium cation are equal in (II), consistent with electron delocalization resulting from protonation of the amine N atom. Crystals of (Ib) and (Ic) contain columns of parallel molecules, which are linked by edge‐over‐edge C—H⋯π overlap. The columns are linked to one another by C—H⋯π interactions and, in the case of (Ib), C—H⋯N hydrogen bonds. Crystals of (II) contain layers of monocations linked by π–π interactions and separated by both perchlorate anions and the protruding ethyl groups; the cations and anions are linked by N—H⋯O hydrogen bonds. 相似文献
20.
Abderrahmen Guesmi Mohamed Faouzi Zid Ahmed Driss 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(5):511-512
In the title compound, disodium cobalt tetrakis(dihydrogenphosphate) tetrahydrate, the CoII ion lies on an inversion centre and is octahedrally surrounded by two water molecules and four H2PO4 groups to give a cobalt complex anion of the form [Co(H2PO4)4(OH2)]2?. The three‐dimensional framework results from hydrogen bonding between the anions. The relationship with the structures of Co(H2PO4)2·2H2O and K2CoP4O12·5H2O is discussed. 相似文献