Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 10 (October 2013)



[Issue Author Index][Volume Author Index]
[Cover illustration] Cover illustration: A view of the [Fe3O(SO4)6(H2O)3]5- unit in tricaesium sodium iron(III) [mu]3-oxido-hexa-[mu]2-sulfato-tris­[aqua­iron(III)] penta­hydrate. Displacement ellipsoids are drawn at the 50% probability level. See Mereiter [Acta Cryst. (2013), C69, 1085-1090].

inorganic compounds


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Acta Cryst. (2013). C69, 1085-1090  [ doi:10.1107/S0108270113023275 ]

Cs2.91Na1.34Fe3+0.25[Fe3O(SO4)6(H2O)3]·5H2O, a member of the Maus's salt family

K. Mereiter

Synopsis: In the title compound, a member of the Maus's salt family, [Fe3O(SO4)6(H2O)3]5- anion complexes are held together by Na+, Cs+ and Fe3+ cations in seven different sites and by five water mol­ecules to form a polar noncentrosymmetric monoclinic structure.

Formula: Cs2.91Na1.34Fe0.25[Fe3O(SO4)6(H2O)3]·5H2O

Online 6 September 2013


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Acta Cryst. (2013). C69, 1091-1095  [ doi:10.1107/S0108270113025110 ]

The polar phase of Li2Ge4O9 at 298, 150 and 90 K

G. J. Redhammer and G. Tippelt

Synopsis: The structure of Li2Ge4O9 has been determined to show the space group P21ca between 298 and 90 K, thus being in the polar state. A detailed description of structure and temperature variation is given.

Formula: Li2Ge4O9 at 298, 150 and 90 K

Online 28 September 2013


metal-organic compounds


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Acta Cryst. (2013). C69, 1096-1099  [ doi:10.1107/S010827011302297X ]

Electrochemical properties of a cobalt(II) complex with sulfadiazine and 1,3-bis­(pyridin-4-yl)propane

Y.-Y. Zhao, X.-H. Zhao, J. Zhang, J.-G. Pan and X. Li

Synopsis: A one-dimensional polymeric structure of CoII with sulfadiazine and 1,3-bis­(pyridin-4-yl)propane is further stabilized by inter­molecular hydrogen bonding. The structure is of inter­est with respect to its electrochemical properties in the reduction reaction of H2O2 to H2O. Investigation of the thermal stability shows that the complex is stable up to 543 K.

Formula: [Co(C10H8N4O4S2)2(C13H14N2)]

Online 6 September 2013


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Acta Cryst. (2013). C69, 1100-1103  [ doi:10.1107/S0108270113023093 ]

The double-stranded ladder-like structure of poly[[bis­([mu]2-acetato-[kappa]2O:O')bis­(acetato-[kappa]O)bis­([mu]-4,4'-bi­pyridine-[kappa]2N:N')dicopper(II)] 4-nitro­phenol disolvate tetra­hydrate]

S. J. Zamisa, P. Ndungu and B. Omondi

Synopsis: The title complex shows a prominent double-stranded ladder-like coordination polymer featuring square-pyramidal geometry around the two CuII centres.

Formula: [Cu(C2H3O2)2(C10H8N2)]·C6H5NO3·2H2O

Online 6 September 2013


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Acta Cryst. (2013). C69, 1104-1107  [ doi:10.1107/S0108270113023263 ]

Chlorido­bis­[2-(di­phenyl­phosphanyl)ethanamine-[kappa]2P,N](tri­phenylphos­phane-[kappa]P)ruthenium(II) chloride toluene monosolvate

R. J. Brown, D. S. Amenta, J. W. Gilje and G. P. A. Yap

Synopsis: The chiral stereochemistry and the mer-P and cis-N coordination of the chlorido­bis­[2-(di­phenyl­phosphanyl)ethanamine-[kappa]2P,N](tri­phenyl­phosphane-[kappa]P)ruthenium(II) cation, [RuCl(PPh3){Ph2P(CH2)2NH2-[kappa]2P,N}2]+, is unique in ruthenium-amino­phosphane chemistry.

Formula: [RuCl(C18H15P)(C14H16NP)2]Cl·C7H8

Online 6 September 2013


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Acta Cryst. (2013). C69, 1108-1111  [ doi:10.1107/S0108270113022105 ]

2,5-Bis[4-methyl-3-(pyridin-3-yl)phen­yl]-1,3,4-oxa­diazole and its one-dimensional polymeric complex with ZnCl2

S. Hou, Q.-K. Liu, Y.-A. Li, J.-P. Ma and Y.-B. Dong

Synopsis: In a polymer of 2,5-bis­[4-methyl-3-(pyridin-3-yl)phen­yl]-1,3,4-oxa­diazole (L) with ZnCl2, one-dimensional P (plus) and M (minus) helical chains are formed, where the ligand has different directions of twist. The helical chains stack together via inter­chain [pi]-[pi] and C-H...[pi] inter­actions.

Formula: C26H20N4O and [ZnCl2(C26H20N4O)]

Online 6 September 2013


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Acta Cryst. (2013). C69, 1112-1115  [ doi:10.1107/S0108270113023007 ]

(Hexa­fluoro­silicato-[kappa]2F,F')bis­(1,10-phenanthroline-[kappa]2N,N')zinc(II) methanol monosolvate

R. W. Seidel, C. Dietz, J. Breidung, R. Goddard and I. M. Oppel

Synopsis: The title compound contains a neutral heteroleptic tris-chelate ZnII complex, viz. [Zn(SiF6)(phen)2] (phen is 1,10-phenanthroline), exhibiting approximate mol­ecular C2 point-group symmetry, and represents the first structurally characterized example of a ZnII complex bearing a bidentate-bound hexa­fluoro­silicate ligand.

Formula: [Zn(SiF6)(C12H8N2)2]·CH4O

Online 6 September 2013


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Acta Cryst. (2013). C69, 1116-1119  [ doi:10.1107/S0108270113023524 ]

Bis{[mu]-2,2'-[(butane-2,3-diyl­idene)bis­(aza­nylyl­idene)]di­benzene­thiol­ato}dizinc(II)-dimethyl sulfoxide-methanol (2/0.18/0.82)

R. L. Luck, T. A. Olds and M. Zeller

Synopsis: The title compound has a metallic cluster structure with a rhomboidal Zn2S2 arrangement. Each ZnII atom is five-coordinated and exhibits distorted trigonal bipyramidal geometry. The structure may be of inter­est with respect to zinc-thiol­ate bonds, the coordination chemistry of Schiff bases and the folding of proteins.

Formula: [Zn2(C16H14N2S2)2]2·0.18C2H6OS·0.82CH4O

Online 6 September 2013


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Acta Cryst. (2013). C69, 1120-1123  [ doi:10.1107/S0108270113023135 ]

Aluminium(III) amidinates formed from reactions of `AlCl' with lithium amidinates

D. H. Mayo, Y. Peng, P. Zavalij, K. H. Bowen and B. W. Eichhorn

Synopsis: The reaction of metastable aluminum monochloride in the presence of lithium amidinates results in the formation of AlIII amidinates upon heating. Two novel heteroleptic AlIII bis-amidinate chlorides and one homoleptic AlIII tris-amidinate complex are reported.

Formula: [Al(C13H19N2)3], [Al(C13H19N2)2Cl] and [Al(C19H27N2)2Cl]·0.675C4H8O

Online 6 September 2013


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Acta Cryst. (2013). C69, 1124-1127  [ doi:10.1107/S0108270113023846 ]

Poly[di­aqua­[[mu]4-4-(isonicotinamido)­phthalato]nickel(II)] displaying an sra topology

M.-S. Chen, J.-S. Xu, Y.-F. Deng and C.-H. Zhang

Synopsis: A 4-(isonicotinamido)­phthalate ligand links NiII centres into a three-dimensional structure with sra topology. The structure is stabilized by N-H...O hydrogen bonding between uncoordinated amide groups and extensive O-H...O hydrogen bonding between the coordinated water mol­ecules.

Formula: [Ni(C14H8N2O5)(H2O)2]

Online 6 September 2013


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Acta Cryst. (2013). C69, 1128-1131  [ doi:10.1107/S0108270113023901 ]

A tri­methyl­sulfonium salt with a novel polymeric cadmate anion

M.-L. Liu

Synopsis: A rare two-dimensional organically templated halocadmate with a novel polymeric anion has been synthesized and characterized. It consists of tri­methyl­sulfonium cations sandwiched between layers of a two-dimensional [mu]2-chlorido-di-[mu]2-thio­cyanato-cadmate(II) polyanion.

Formula: (C3H9S)[CdCl(NCS)2]

Online 6 September 2013


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Acta Cryst. (2013). C69, 1132-1135  [ doi:10.1107/S0108270113024499 ]

A three-dimensional polymeric potassium complex of 5-sulfono­benzene-1,2,4-tri­carb­oxy­lic acid: poly[[mu]-aqua-aqua-[mu]9-(2,4-dicarb­oxy-5-sulfonato­benzoato)-dipotassium(I)]

W.-L. Xiong, Y.-L. Wang and Q.-Y. Liu

Synopsis: A three-dimensional polymeric potassium complex incorporating bridging water mol­ecules and 2,4-dicarb­oxy-5-sulfonato­benzoate ligands forms a one-dimensional inorganic chain with cage-like K4(SO3)2 repeat units. The chains are bridged by carb­oxy­lic acid groups to form a two-dimensional layer, and these layers are further linked by carboyxlate groups and benzene rings to generate a three-dimensional framework.

Formula: [K2(C9H4O9S)(H2O)2]

Online 6 September 2013


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Acta Cryst. (2013). C69, 1136-1139  [ doi:10.1107/S0108270113025201 ]

The heterometallic cadmium-silver complex cis-bis[di­cyanido­argentato(I)-[kappa]N]bis­(5,5'-dimethyl-2,2'-bipyridyl-[kappa]2N,N')cadmium(II) monohydrate

J. Piromchom, N. Wannarit, C. Pakawatchai and S. Youngme

Synopsis: In the title hydrated mixed cadmium-silver complex, the CdII cation is coordinated by two bidentate 5,5'-dimethyl-2,2'-bipyridyl ligands and two monodentate [AgI(CN)2]- anions, which are in a cis arrangement around the CdII cation, leading to an octa­hedral CdN6 geometry.

Formula: [Ag2Cd(CN)4(C12H12N2)2]·H2O

Online 28 September 2013


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Acta Cryst. (2013). C69, 1140-1143  [ doi:10.1107/S0108270113025006 ]

catena-Poly[[di-[mu]2-aqua-hexaaquabis­([mu]3-4-oxido­pyridine-2,6-di­carboxyl­ato)tri­manganese(II)] trihydrate]: a new one-dimensional coordination polymer based on a trinuclear MnII complex of chelidamic acid

M. Mirzaei, H. Eshtiagh-Hosseini, Z. Karrabi and B. Notash

Synopsis: A one-dimensional coordination polymer with a twofold symmetric repeat unit containing three MnII centres. Two different coordination geometries are observed for the two independent MnII metal centres, viz. a distorted penta­gonal bipyramid and a distorted octa­hedron.

Formula: [Mn3(C7H2NO5)2(H2O)8]·3H2O

Online 28 September 2013


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Acta Cryst. (2013). C69, 1144-1146  [ doi:10.1107/S0108270113025043 ]

Zigzag polymer chains in catena-poly[[[triaqua(isobutyrato-[kappa]O)magnesium(II)]-[mu]-isobutyrato-[kappa]2O:O'] monohydrate]

I. L. Malaestean, S. Schmitz, A. Ellern and P. Kögerler

Synopsis: The title compound comprises one-dimensional zigzag polymers of MgII cations bridged by isobutyrate groups. The crystal structure is characterized by stacks of hydro­phobic (isobutyrate) and hydro­philic (H2O) groups that alternate along the a axis.

Formula: [Mg(C4H7O2)2(H2O)3]·H2O

Online 28 September 2013


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Acta Cryst. (2013). C69, 1147-1151  [ doi:10.1107/S0108270113025699 ]

A one-dimensional cadmium metal-organic chain based on a [Cd4(COO)4] secondary building unit and a flexible di­carb­oxy­lic acid ligand

Y.-K. Deng, Z.-H. Yan and D. Sun

Synopsis: The structural evidence for the formation of a cluster-based chain-like polymeric structure incorporating both syn and anti conformers of a flexible dicarboxylate ligand is reported.

Formula: [Cd2(C22H16O4S2)2(H2O)]

Online 28 September 2013


organic compounds


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Acta Cryst. (2013). C69, 1152-1156  [ doi:10.1107/S0108270113020891 ]

2-Amino-5-iodo­pyridinium bromide hemihydrate and 2-amino-5-iodo­pyridinium chloride monohydrate

M. Polson, M. M. Turnbull and J. L. Wikaira

Synopsis: The title hydrate salts exhibit similar hydrogen bonding and [pi]-stacking in their crystal structures. The most interesting feature of the hydrochloride salt is the presence of an additional fractional HCl molecule which introduces disorder in the location of the water molecule.

Formula: C5H6IN2+·Br-·0.5H2O and C5H6IN2+·Cl-·H2O·0.375HCl

Online 6 September 2013


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Acta Cryst. (2013). C69, 1157-1163  [ doi:10.1107/S0108270113022981 ]

Four related diethyl [(aryl­amino)­(4-ethynylphen­yl)meth­yl]phosphon­ates

A. Ouahrouch, J. Krim, M. Taourirte, H. B. Lazrek, J. W. Engels and J. W. Bats

Synopsis: The conformations of the anilino(phenyl)methyl groups are similar in four related diethyl [(aryl­amino)­(4-ethynyl­phenyl)methyl]phosphon­ates. In each compound, the P-C bond has an approximate staggered conformation, with the aniline and ethynyl­phenyl groups in gauche positions with respect to the P=O double bond, and the two six-membered rings are almost perpendicular.

Formula: C19H21BrNO3P, C23H31ClNO3PSi, C22H29FNO3PSi and C23H24NO3P

Online 6 September 2013


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Acta Cryst. (2013). C69, 1164-1169  [ doi:10.1107/S0108270113023573 ]

Solvent-mediated pseudo-quadruple hydrogen-bond motifs in three lamotrigine-carb­oxy­lic acid complexes

B. Sridhar, J. B. Nanubolu and K. Ravikumar

Synopsis: The crystal structures of three solvent-mediated lamotrigine-aromatic carb­oxy­lic acid complexes exhibit similar hydrogen-bonding motifs and display isostructurality.

Formula: C9H7.54Cl2N5+·C7H4.46IO2-·C3H7NO, C9H7Cl2N5+·C8H8O2-·C3H7NO and C9H8Cl2N5+·C7H3N2O7-·C3H7NO

Online 6 September 2013


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Acta Cryst. (2013). C69, 1170-1172  [ doi:10.1107/S0108270113021781 ]

C5 and C7 intra­molecular hydrogen bonds stabilize the structure of N-pyrazinoyl-gabapentin (Pyr-Gpn-OH)

N. A. Wani, V. K. Gupta, R. Kant, S. Aravinda and R. Rai

Synopsis: In the title N-protected derivative of gabapentin (Gpn), the mol­ecular conformation is stabilized by intra­molecular five- (C5) and seven-membered (C7) hydrogen-bonded rings. The packing of the mol­ecules reveals O-H...O and C-H...N inter­molecular hydrogen bonds, together with [pi]-[pi] inter­actions.

Formula: C14H19N3O3

Online 6 September 2013


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Acta Cryst. (2013). C69, 1173-1176  [ doi:10.1107/S0108270113023676 ]

1-Carb­oxy­methyl-3-methyl-1H-imidazol-3-ium chloride 2-(3-methyl-1H-imidazol-3-ium-1-yl)acetate monohydrate: a crystal stabilized by imidazolium zwitterions

H. Zhang, L. Chang, N. Wang and X. Xuan

Synopsis: Two imidazolium moieties form a homoconjugated cation through a strong and asymmetric O-H...O hydrogen bond. In the crystal packing, chloride anions and water mol­ecules are linked via O-H...Cl hydrogen bonds, forming an infinite one-dimensional chain.

Formula: C6H9N2O2+·Cl-·C6H8N2O2·H2O

Online 6 September 2013


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Acta Cryst. (2013). C69, 1177-1180  [ doi:10.1107/S0108270113023792 ]

Two seven-membered heterocycles with 1,2-diaza ring N atoms: 3,5,7-triphenyl-1,2-di­azacyclo­hepta-1(7),2-diene and 3,7-bis(2-hy­droxy­phen­yl)-5-phenyl-1,2-di­azacyclo­hepta-1(7),2-diene

Y.-C. Shi and H.-Y. Duan

Synopsis: Two compounds containing seven-membered heterocyclic rings with 1,2-diaza N atoms have been synthesized and characterized. In each, the C5N2 ring adopts a twist-boat conformation.

Formula: C23H20N2 and C23H20N2O2

Online 6 September 2013


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Acta Cryst. (2013). C69, 1181-1185  [ doi:10.1107/S010827011302341X ]

New rac-XP(O)(OC6H5)(NHC6H4-p-CH3) [X = N(CH3)(cyclo-C6H11) and NH(C3H5)] and rac-(C6H5CH2NH)P(O)(OC6H5)(NH-cyclo-C6H11) mixed-amide phosphinates

M. Pourayoubi, F. Karimi Ahmadabad, H. Eshtiagh-Hosseini, M. Kuceráková, V. Eigner and M. Dusek

Synopsis: The crystal structures of three new racemic mixed-amide phosphinates are discussed. The compounds crystallize in centrosymmetric space groups and the racemic character is reflected by the symmetry.

Formula: C20H27N2O2P, C16H19N2O2P and C19H25N2O2P

Online 6 September 2013


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Acta Cryst. (2013). C69, 1186-1191  [ doi:10.1107/S0108270113024323 ]

Zolmitriptan oxalate and zolmitriptan camphorsulfonate: the first structural study of salt complexes of the anti­migraine drug zolmitriptan

B. Sridhar, K. Ravikumar and V. Hariharakrishnan

Synopsis: The crystal structures of the oxalate and camphor sulfonate salts of zolmitriptan exhibit two different configurations of the zolmitriptan mol­ecule, which in turn lead to different hydrogen-bonding inter­actions.

Formula: C16H22N3O2+·C2HO4- and C16H22N3O2+·C10H15O4S-

Online 6 September 2013


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Acta Cryst. (2013). C69, 1192-1195  [ doi:10.1107/S010827011302430X ]

Three-dimensional hydrogen-bonded structures in the hydrated proton-transfer salts of isonipecotamide with the di­carb­oxy­lic oxalic and adipic acid homologues

G. Smith and U. D. Wermuth

Synopsis: The structures of the 1:1 hydrated proton-transfer compounds of isonipecotamide (piperidine-4-carboxamide) with oxalic acid and adipic acid are three-dimensional hydrogen-bonded constructs involving several different types of enlarged water-bridged cyclic associations.

Formula: C6H13N2O+·C2HO4-·2H2O and 2C6H13N2O+·C6H8O4-·2H2O

Online 7 September 2013


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Acta Cryst. (2013). C69, 1196-1199  [ doi:10.1107/S0108270113024566 ]

The six-membered-ring azomethine N-((E)-{5-[(E)-(pyridin-3-yl­imino)­meth­yl]thio­phen-2-yl}methyl­idene)pyridin-3-amine

A. Bolduc, S. Dufresne and W. G. Skene

Synopsis: The title compound was analyzed to compare the crystal structure of six-membered-ring azomethines with the five-membered-ring analogues. The structure is driven by inter­molecular hydrogen bonding and [pi]-stacking inter­actions to give the resulting arrangment in the three-dimensional network.

Formula: C16H12N4S

Online 28 September 2013


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Acta Cryst. (2013). C69, 1200-1204  [ doi:10.1107/S0108270113024943 ]

Dimers linked by type-I C-F...F-C contacts in (Z)-3-methyl-4-[2-(4-methyl­phenyl)hydrazinyl­idene]-1-(penta­fluoro­phenyl)-1H-pyrazol-5(4H)-one

L. Alvarez-Thon, C. Bustos, K. Espinoza-Santibañez, M. T. Garland and R. Baggio

Synopsis: In the title compound, there are two independent mol­ecules forming hydrogen- and [pi]-bonded dimeric entities with a noticeable noncrystallographic C2 symmetry. Dimers are linked by medium-strength type-I C-F...F-C inter­actions, forming elongated tetra­mers.

Formula: C17H11F5N4O

Online 28 September 2013


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