Crystal Structure Communications

Acta Cryst. (2009). C65, i9-i10  [ doi:10.1107/S0108270109006817 ]

Nickel vanadium tellurium oxide, NiV₂Te₂O₁₀

D. Zhang and M. Johnsson

Synopsis: Single crystals of a nickel vanadium tellurium oxide were synthesized. The crystal structure is layered. The building units are VO₆ and NiO₆ octahedra and TeO₄E distorted square pyramids (E being the 5s² lone electron pair of Te^IV).

Formula: NiV₂Te₂O₁₀

Online 7 March 2009

Acta Cryst. (2009). C65, i11-i13  [ doi:10.1107/S0108270108042467 ]

La(Ni_2/3Nb_1/3)O₃ by neutron powder diffraction

J. R. Tolchard, M.-L. Fontaine and T. Grande

Synopsis: A full analysis of the structure of the double perovskite La(Ni_2/3Nb_1/3)O₃ has been performed for the first time using neutron powder diffraction.

Formula: LaNb_0.33Ni_0.67O₃

Online 7 March 2009

Acta Cryst. (2009). C65, i14-i16  [ doi:10.1107/S0108270109006118 ]

Lithium barium silicate, Li₂BaSiO₄, from synchrotron powder data

J. Kim, D. Ahn, C. Kulshreshtha, K.-S. Sohn and N. Shin

Synopsis: The determined structure of lithium barium silicate, Li₂BaSiO₄, consists of two types of tetrahedra, viz. (SiO₄)^4- and (LiO₄)^7-, and Ba²⁺ atoms located at the centers of open spaces formed by the tetrahedra. These tetrahedra share edges to form (Li₆SiO₁₃)^5- units. These basic units are connected by sharing corners (O atoms) parallel to [001] and through sharing (SiO₄)^4- tetrahedra in (001).

Formula: Li₂BaSiO₄

Online 7 March 2009

Acta Cryst. (2009). C65, i17-i19  [ doi:10.1107/S0108270109007677 ]

Ba₂Ti₂Si₂O₉F₂, a new titanium silicate

M. Mann and J. Kolis

Synopsis: Dibarium dititanium difluoride dioxide heptaoxidodisilicate, Ba₂Ti₂Si₂O₉F₂, is a new edge-sharing titanate with a unique titanium silicate framework. Titanium oxyfluoride octahedra combine with silicon tetrahedra to form a double stacked chain, which is the base unit of the layered framework.

Formula: Ba₂Ti₂Si₂O₉F₂

Online 28 March 2009

Acta Cryst. (2009). C65, i20-i22  [ doi:10.1107/S0108270109010671 ]

Orthorhombic aluminium oxyfluoride, AlOF

A. D. Vasiliev, S. V. Melnikova and L. I. Isaenko

Synopsis: Orthorhombic crystals of aluminium oxyfluoride consist of octahedral and tetrahedral AlF(O)_n blocks with common vertices. Interionic Al-F(O) distances are strictly separated into three groups. The structure differs markedly from the reported tetragonal phase Al_1-xO_1-3xF_1+3x (x = 0.0886).

Formula: AlOF

Online 28 March 2009

Acta Cryst. (2009). C65, m143-m145  [ doi:10.1107/S0108270109004193 ]

Tetraaquabis(D-camphor-10-sulfonato)calcium(II)

D. Jeremic, G. N. Kaluderovic, S. Gómez-Ruiz, I. Brceski and K. K. Andelkovic

Formula: [Ca(C₁₀H₁₅O₄S)₂(H₂O)₄]

Online 7 March 2009

Acta Cryst. (2009). C65, m146-m148  [ doi:10.1107/S0108270109005253 ]

Poly[(N,N-dimethylformamide-O)(₃-4,4'-ethylenedibenzoato-⁵O,O':O':O'',O''')(pyrazino[2,3-f][1,10]phenanthroline-²N⁸,N⁹)lead(II)]

Q. Qiao, G.-Q. Wu, T.-D. Tang and S. W. Ng

Formula: [Pb(C₁₆H₁₀O₄)(C₁₄H₈N₄)(C₃H₇NO)]

Online 7 March 2009

Acta Cryst. (2009). C65, m149-m151  [ doi:10.1107/S0108270109007161 ]

A unique two-dimensional coordination network of 1-benzofuran-2,3-dicarboxylate with lanthanum(III) obtained by solvothermal synthesis

R. Koner and I. Goldberg

Formula: [La₂(C₁₀H₄O₅)₃(H₂O)₄]

Online 7 March 2009

Acta Cryst. (2009). C65, m152-m155  [ doi:10.1107/S0108270109005162 ]

cis-Dichloridobis{dimethyl[3-(9-phosphabicyclo[3.3.1]non-9-yl)propyl]amine-P}platinum(II)

P. N. Bungu and S. Otto

Formula: [PtCl₂(C₁₃H₂₆NP)₂]

Online 7 March 2009

Acta Cryst. (2009). C65, m156-m159  [ doi:10.1107/S0108270109004442 ]

A monoclinic pseudopolymorph of manganese squarate dihydrate, Mn(-C₄O₄)(H₂O)₂, built from cubic units

E. Gavilan and N. Audebrand

Formula: [Mn₃(C₄O₄)₃(H₂O)₆]·H₂O

Online 14 March 2009

Acta Cryst. (2009). C65, m160-m164  [ doi:10.1107/S0108270109008798 ]

Two- and three-dimensional hydrated coordination polymers of diaqualanthanum(3+) ions with 2-hydroxypropanedioate, oxalate and acetate anions as bridging ligands

R. Koner and I. Goldberg

Formula: [La₂(C₂O₄)(C₃H₂O₅)₂(H₂O)₄]·4H₂O and [La₂(C₂O₄)(C₂H₃O₂)₄(H₂O)₄]·2H₂O

Online 21 March 2009

Acta Cryst. (2009). C65, m165-m167  [ doi:10.1107/S0108270109010166 ]

Poly[(acetone)tetraaqua[₆-ethyl (dichloromethylene)diphosphonato][₅-ethyl (dichloromethylene)diphosphonato]tribarium(II)]

J. Jokiniemi, S. Peräniemi, J. Vepsäläinen and M. Ahlgrén

Formula: [Ba₃(C₃H₅Cl₂O₆P₂)₂(C₃H₆O)(H₂O)₄]

Online 28 March 2009

Acta Cryst. (2009). C65, m168-m170  [ doi:10.1107/S0108270109009512 ]

Mo₄(³-allyl)₄Cl₂(OH)₂(CO)₈: the first cubane-type Mo²⁺ organometallic complex with ₃-OH and ₃-Cl bridges

T. R. Amarante, I. S. Gonçalves and F. A. Almeida Paz

Formula: [Mo₄(C₃H₅)₄Cl₂(OH)₂(CO)₈]·C₄H₈O·C₁₃H₈O

Online 28 March 2009

Acta Cryst. (2009). C65, o123-o127  [ doi:10.1107/S0108270109005836 ]

The crucial role of C-HO and C=O interactions in the building of three-dimensional structures of dicarboxylic acid-biimidazole compounds

X.-L. Gao, L.-P. Lu and M.-L. Zhu

Formula: C₆H₈N₄²⁺·C₃H₂O₄^2-, C₆H₆N₄·C₄H₆O₄ and C₆H₈N₄²⁺·C₄H₆NO₄^-·Cl^-

Online 7 March 2009

Acta Cryst. (2009). C65, o128-o130  [ doi:10.1107/S0108270109006696 ]

Cocrystallization of two tautomers: 4-(1-{[4-(dimethylamino)benzylidene]hydrazono}ethyl)benzene-1,3-diol and 6-[(E)-1-{[4-(dimethylamino)benzylidene]hydrazino}ethylidene]-3-hydroxycyclohexa-2,4-dien-1-one (1/1)

Z.-H. Wu, J.-P. Ma, X.-W. Wu, R.-Q. Huang and Y.-B. Dong

Formula: C₁₇H₁₉N₃O₂·C₁₇H₁₉N₃O₂

Online 7 March 2009

Acta Cryst. (2009). C65, o131-o133  [ doi:10.1107/S0108270109006702 ]

Unusual hydrate stabilization in the two-dimensional layered structure of quinacrinium bis(2-carboxy-4,5-dichlorobenzoate) tetrahydrate, a proton-transfer compound of the drug quinacrine

G. Smith, U. D. Wermuth and D. S. Sagatys

Formula: C₂₃H₃₂ClN₃O²⁺·2C₈H₃Cl₂O₄^-·4H₂O

Online 7 March 2009

Acta Cryst. (2009). C65, o134-o139  [ doi:10.1107/S0108270109005514 ]

Four 7-aryl-substituted pyrido[2,3-d]pyrimidine-2,4(1H,3H)-diones: similar molecular structures but different crystal structures

J. Trilleras, J. Quiroga, J. Cobo, M. B. Hursthouse and C. Glidewell

Formula: C₁₆H₁₅N₃O₂, C₂₁H₁₇N₃O₂, C₁₄H₁₀FN₃O₂ and C₁₅H₁₃N₃O₃

Online 7 March 2009

Acta Cryst. (2009). C65, o140-o145  [ doi:10.1107/S0108270109005265 ]

(2R,4S)-7-Bromo-2-phenyl-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-b]azepine, (2RS,4SR)-7-bromo-2-(4-chlorophenyl-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-b]azepine and (2RS,4SR)-2-(4-fluorophenyl)-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-b]azepine: hydrogen-bonded structures in two and three dimensions

A. Palma, A. Bahsas, A. F. Yépes, J. Cobo, M. B. Hursthouse and C. Glidewell

Formula: C₂₀H₁₆BrNO, C₂₀H₁₅BrClNO and C₂₀H₁₆FNO

Online 7 March 2009

Acta Cryst. (2009). C65, o146-o150  [ doi:10.1107/S0108270109003242 ]

Inter-ring and endo anomeric effects, and hydrogen-bonded supramolecular motifs in two 2,4,6,8-tetraazabicyclo[3.3.0]octane derivatives

Z. Zhang, J. Wang, G. Zhang and J. Li

Formula: C₂₈H₂₂Cl₄N₄ and C₃₂H₃₄N₄O₄

Online 7 March 2009

Acta Cryst. (2009). C65, o151-o154  [ doi:10.1107/S0108270109008294 ]

2,3:4,6-Di-O-isopropylidene--L-sorbofuranose and 2,3-O-isopropylidene--L-sorbofuranose

V. Langer, B. Steiner and M. Koós

Formula: C₁₂H₂₀O₆ and C₉H₁₆O₆

Online 14 March 2009

Acta Cryst. (2009). C65, o155-o159  [ doi:10.1107/S0108270109008336 ]

From small structural modifications to adjustment of structurally dependent properties: 1-methyl-3,5-bis[(E)-2-thienylidene]-4-piperidone and 3,5-bis[(E)-5-bromo-2-thienylidene]-1-methyl-4-piperidone

P. Tongwa, T. L. Kinnibrugh, G. R. Kicchaiahgari, V. N. Khrustalev and T. V. Timofeeva

Formula: C₁₆H₁₅NOS₂ and C₁₆H₁₃Br₂NOS₂

Online 18 March 2009

Acta Cryst. (2009). C65, o160-o162  [ doi:10.1107/S010827010900780X ]

N-(2,6-Dibromophenyl)formamide

B. Omondi, D. C. Levendis, M. Layh and M. A. Fernandes

Formula: C₇H₅Br₂NO

Online 18 March 2009

Acta Cryst. (2009). C65, o163-o166  [ doi:10.1107/S010827010900941X ]

3-[5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-3-yl]propionic acid and the corresponding methyl ester

I. R. Kumarasinghe, V. J. Hruby and G. S. Nichol

Formula: C₁₉H₁₇ClN₂O₃ and C₂₀H₁₉ClN₂O₃

Online 21 March 2009

Acta Cryst. (2009). C65, o167-o170  [ doi:10.1107/S0108270109008816 ]

Absolute structures and conformations of the spongian diterpenes spongia-13(16),14-dien-3-one, epispongiadiol and spongiadiol

K. W. L. Yong, M. J. Garson and P. V. Bernhardt

Formula: C₂₀H₂₈O₂, C₂₀H₂₈O₄ and C₂₀H₂₈O₄

Online 25 March 2009

Acta Cryst. (2009). C65, o171-o175  [ doi:10.1107/S0108270109008877 ]

5-Hydroxyalkyl derivatives of tert-butyl 2-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate: diastereoselectivity of the Mukaiyama crossed-aldol-type reaction

O. Vallat, A.-M. Buciumas, R. Neier and H. Stoeckli-Evans

Formula: C₁₇H₂₀N₂O₆, C₂₀H₂₄N₂O₈ and C₁₃H₂₀BrNO₄

Online 25 March 2009

Acta Cryst. (2009). C65, o176-o178  [ doi:10.1107/S0108270109008439 ]

Dimorphic forms of 3,6-dinitrodurene in a single space group

J. A. Galicia Aguilar and S. Bernès

Formula: Two polymorphs of C₁₀H₁₂N₂O₄

Online 25 March 2009

Acta Cryst. (2009). C65, o179-o182  [ doi:10.1107/S0108270109009792 ]

Diastereomers (R_C,S_P)- and (R_C,R_P)-S-methyl P-(3-azidopropyl)-N-[(1R)-1-phenylethyl]phosphonamidothioate

L. Guo, C. M. Thompson and B. Twamley

Formula: C₁₂H₁₉N₄OPS

Online 28 March 2009

Acta Cryst. (2009). C65, o183-o185  [ doi:10.1107/S0108270109009391 ]

(E)-Methyl 2-[(2-fluorophenyl)aminomethylene]-3-oxobutanoate: X-ray and density functional theory (DFT) study

V. Langer, P. Mach, L. Smrcok and V. Milata

Formula: C₁₂H₁₂FNO₃

Online 28 March 2009

Acta Cryst. (2009). C65, o186-o190  [ doi:10.1107/S0108270109010609 ]

Self-inclusion structure of 5,11,17,23-tetrakis(azidomethyl)-25,26,27,28-tetrahydroxycalix[4]arene, and 5,11,17,23-tetra-tert-butyl-25,27-bis(chloroacetoxy)-26,28-bis(2-pyridylmethoxy)calix[4]arene

M. Zhao, X.-Y. Zhang, J.-P. Ma, R.-Q. Huang and D.-S. Guo

Formula: C₃₂H_27.91N_11.73O_4.09 and C₆₀H₆₈Cl₂N₂O₆

Online 28 March 2009