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Acta Crystallographica Section C

Crystal Structure Communications

Volume 65, Part 4 (April 2009)



[Issue Author Index][Volume Author Index]
[Cover illustration] Cover illustration: View of the tetrametallic Mo4([eta]3-allyl)4Cl2(OH)2(CO)8 molecular unit in di-[mu]3-chlorido-di-[mu]3-hydroxido-tetrakis[([eta]3-allyl)dicarbonylmolybdenum(II)]-9-fluorenone-tetrahydrofuran (1/1/1). Displacement ellipsoids are drawn at the 50% probability level. See Amarante, Gonçalves & Almeida Paz [Acta Cryst. (2009), C65, m168-m170].

inorganic compounds


 

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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 TeIV).

Formula: NiV2Te2O10

Online 7 March 2009


 

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

La(Ni2/3Nb1/3)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(Ni2/3Nb1/3)O3 has been performed for the first time using neutron powder diffraction.

Formula: LaNb0.33Ni0.67O3

Online 7 March 2009


 

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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


 

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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


 

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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 Al1-xO1-3xF1+3x (x = 0.0886).

Formula: AlOF

Online 28 March 2009


metal-organic compounds


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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


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

Poly[(N,N-dimethylformamide-[kappa]O)([mu]3-4,4'-ethylenedibenzoato-[kappa]5O,O':O':O'',O''')(pyrazino[2,3-f][1,10]phenanthroline-[kappa]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


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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


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

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

P. N. Bungu and S. Otto

Formula: [PtCl2(C13H26NP)2]

Online 7 March 2009


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

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

E. Gavilan and N. Audebrand

Formula: [Mn3(C4O4)3(H2O)6]·H2O

Online 14 March 2009


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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


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

Poly[(acetone)tetraaqua[[mu]6-ethyl (dichloromethylene)diphosphonato][[mu]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


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

Mo4([eta]3-allyl)4Cl2(OH)2(CO)8: the first cubane-type Mo2+ organometallic complex with [mu]3-OH and [mu]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


organic compounds


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

The crucial role of C-H...O and C=O...[pi] 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+·C3H2O42-, C6H6N4·C4H6O4 and C6H8N42+·C4H6NO4-·Cl-

Online 7 March 2009


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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


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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


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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


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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


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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


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

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

V. Langer, B. Steiner and M. Koós

Formula: C12H20O6 and C9H16O6

Online 14 March 2009


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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


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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


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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


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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


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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


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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


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

Diastereomers (RC,SP)- and (RC,RP)-S-methyl P-(3-azidopropyl)-N-[(1R)-1-phenylethyl]phosphonamidothioate

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

Formula: C12H19N4OPS

Online 28 March 2009


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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


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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: C32H27.91N11.73O4.09 and C60H68Cl2N2O6

Online 28 March 2009


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