Crystal Structure Communications

 

Acta Cryst. (2010). C66, i71-i74  [ doi:10.1107/S0108270110017695 ]

A novel In₃O₁₆ fragment in Cs₃In₃(PO₄)₄

I. V. Zatovsky, V. N. Baumer, N. Yu. Strutynska, N. S. Slobodyanik and O. V. Shishkin

Synopsis: Tricaesium triindium tetraphosphate, Cs₃In₃(PO₄)₄, features a three-dimensional structure composed of an In₃O₁₆ fragment of corner-sharing InO₆ polyhedra interlinked by PO₄ groups into an anionic network, providing tunnels along c where two distinct Cs⁺ cations reside. The structure is closely related to that of K₃In₃(PO₄)₄, with the main difference being in the geometry of the In₃O₁₆ fragments due to the different coordination requirements of Cs and K.

Formula: Cs₃In₃(PO₄)₄

Online 17 June 2010

 

Acta Cryst. (2010). C66, i75-i78  [ doi:10.1107/S0108270110017038 ]

Cs₆Nb₄Se₂₂ and K₁₂Nb₆Se_35.3: two new compounds containing the M₄Q₂₂ building block

J. W. Krizan, S. H. Pulido, S. E. Wehrhan and B. C. Chan

Synopsis: Cs₆Nb₄Se₂₂ contains two Nb₂Se₁₁ building blocks linked by an Se-Se bond to form isolated Nb₄Se₂₂ tetrameric building blocks surrounded by caesium ions. K₁₂Nb₆Se_35.3 contains similar Nb₄Se₂₂ tetramers that are linked by an Se-Se-Se unit to an Nb₂Se₁₁ dimer to form one-dimensional anionic chains surrounded by potassium ions.

Formula: Cs₆Nb₄Se₂₂ and K₁₂Nb₆Se_35.30

Online 17 June 2010

 

Acta Cryst. (2010). C66, i79-i81  [ doi:10.1107/S0108270110022869 ]

(NH₄)₂WTe₂O₈ at 5.09 GPa: a single-crystal study using synchrotron radiation

A. Grzechnik, P. S. Halasyamani, J.-H. Kim and K. Friese

Synopsis: The crystal structure of (NH₄)₂WTe₂O₈ was determined at 5.09 GPa using single-crystal X-ray diffraction in a diamond-anvil cell. No phase transition was observed up to 7.16 GPa. However, a full structure determination at 5.09 GPa shows that the coordination number of one of the two non-equivalent Te atoms has decreased from four to three.

Formula: (NH₄)₂WTe₂O₈

Online 17 June 2010

 

Acta Cryst. (2010). C66, i82-i84  [ doi:10.1107/S0108270110021670 ]

K₂ScSn(AsO₄)₃: an arsenate-containing langbeinite

W. T. A. Harrison

Synopsis: The title compound is the first arsenate-containing langbeinite to be structurally characterized: the Sc^III and Sn^IV cations show slight segregation over the two octahedral sites.

Formula: K₂ScSn(AsO₄)₃

Online 17 June 2010

 

Acta Cryst. (2010). C66, m171-m173  [ doi:10.1107/S0108270110019748 ]

Tris(4-bromophenyl)aminium hexachloridoantimonate (`Magic Blue'): a strong oxidant with low inner-sphere reorganization

M. Quiroz-Guzman and S. N. Brown

Formula: (C₁₈H₁₂Br₃N)[SbCl₆] and C₁₈H₁₂Br₃N

Online 5 June 2010

 

Acta Cryst. (2010). C66, m174-m176  [ doi:10.1107/S0108270110020585 ]

Diamminesilver(I) bis(2-amino-5-nitrobenzoato-²O¹,O^1')silver(I): a two-dimensional supramolecular sheet with a short intersheet distance containing a rare four-coordinate planar silver(I) centre

D. Sun, N. Zhang, R.-B. Huang and L.-S. Zheng

Formula: [Ag(NH₃)₂][Ag(C₇H₅N₂O₄)₂]

Online 5 June 2010

 

Acta Cryst. (2010). C66, m177-m179  [ doi:10.1107/S0108270110018238 ]

Synthesis and molecular structure of Cr(salen)(-N)RhCl(COD): the first example of a heterobimetallic nitride-bridged complex containing chromium

J. Vibenholt, M. Magnussen, C. Anthon and J. Bendix

Formula: [CrRh(C₁₆H₁₄N₂O₂)ClN(C₈H₁₂)]

Online 5 June 2010

 

Acta Cryst. (2010). C66, m180-m183  [ doi:10.1107/S0108270110021050 ]

Cadmium(II) thio- and selenocyanate complexes of 3,3'-bis(1,2,4-triazol-4-yl)-1,1'-biadamantane, a ligand designed with an `extended nanodiamond' aliphatic platform

G. A. Senchyk, A. B. Lysenko, E. B. Rusanov, A. N. Chernega and K. V. Domasevitch

Formula: [Cd(C₂₄H₃₂N₆)₂(H₂O)₂](NCS)₂·2H₂O and [Cd(C₂₄H₃₂N₆)₂(H₂O)₂](NCSe)₂·2H₂O

Online 5 June 2010

 

Acta Cryst. (2010). C66, m184-m187  [ doi:10.1107/S0108270110020433 ]

Poly[diaquabis(₃-2,2-dimethylpropanedioato)calcium(II)copper(II)]

M.-L. Guo and F.-Q. Wang

Formula: [CaCu(C₅H₆O₄)₂(H₂O)₂]

Online 10 June 2010

 

Acta Cryst. (2010). C66, m188-m190  [ doi:10.1107/S0108270110022201 ]

Propane-1,3-diaminium tetrachloridozincate(II) 18-crown-6 clathrate

M. M. Zhao and Z. R. Qu

Formula: (C₃H₁₂N₂)[ZnCl₄]·C₁₂H₂₄O₆

Online 17 June 2010

 

Acta Cryst. (2010). C66, m191-m193  [ doi:10.1107/S0108270110023176 ]

Chlorido(⁵-cyclopentadienyl)bis(dimethylamido)titanium, [TiCl(⁵-C₅H₅)(NMe₂)₂]

B. M. Chapin, L. D. Hughs, J. A. Golen, A. L. Rheingold and A. R. Johnson

Formula: [Ti(C₅H₅)(C₂H₆N)₂Cl]

Online 24 June 2010

 

Acta Cryst. (2010). C66, m194-m196  [ doi:10.1107/S0108270110021165 ]

Poly[(₆-rac-cis-cyclohexane-1,2-dicarboxylato)strontium]

K. A. Robertson and W. T. A. Harrison

Formula: [Sr(C₈H₁₀O₄)]

Online 24 June 2010

 

Acta Cryst. (2010). C66, o321-o323  [ doi:10.1107/S0108270110019888 ]

Methyl -D-fructopyranoside

T. Allscher and P. Klüfers

Formula: C₇H₁₄O₆

Online 5 June 2010

 

Acta Cryst. (2010). C66, o324-o328  [ doi:10.1107/S0108270110014150 ]

Charge-assisted hydrogen-bonded supramolecular networks in acetoguanaminium hydrogen phthalate, acetoguanaminium hydrogen maleate and acetoguanaminium 3-hydroxypicolinate monohydrate

K. Thanigaimani, P. Devi, P. T. Muthiah, D. E. Lynch and R. J. Butcher

Formula: C₄H₈N₅⁺·C₈H₅O₄^-, C₄H₈N₅⁺·C₄H₃O₄^- and C₄H₈N₅⁺·C₆H₄NO₃^-·H₂O

Online 5 June 2010

 

Acta Cryst. (2010). C66, o329-o333  [ doi:10.1107/S0108270110020317 ]

Lamivudine hemihydrate

A. Bhattacharya, B. N. Roy, G. P. Singh, D. Srivastava and A. K. Mukherjee

Formula: C₈H₁₁N₃O₃S·0.5H₂O

Online 5 June 2010

 

Acta Cryst. (2010). C66, o334-o336  [ doi:10.1107/S0108270110020858 ]

25-Allyloxy-5,11,17,23-tetra-tert-butyl-26,27,28-trihydroxycalix[4]arene chloroform disolvate

T. Gruber, F. Eissmann, W. Seichter and E. Weber

Formula: C₄₇H₆₀O₄·2CHCl₃

Online 5 June 2010

 

Acta Cryst. (2010). C66, o337-o340  [ doi:10.1107/S0108270110020846 ]

Two-dimensional networks in 2-methylanilinium picrate and 2,5-dichloroanilinium picrate

G.-X. Meng, H.-L. Yang, C.-X. Cheng and X.-T. Huang

Formula: C₇H₁₀N⁺·C₆H₂N₃O₇^- and C₆H₆Cl₂N⁺·C₆H₂N₃O₇^-

Online 8 June 2010

 

Acta Cryst. (2010). C66, o341-o344  [ doi:10.1107/S0108270110019190 ]

Ezetimibe anhydrate, determined from laboratory powder diffraction data

J. Brüning, E. Alig and M. U. Schmidt

Formula: C₂₄H₂₁F₂NO₃

Online 8 June 2010

 

Acta Cryst. (2010). C66, o345-o348  [ doi:10.1107/S0108270110020597 ]

Phenyl-ring rotational disorder in the two-dimensional hydrogen-bonded structure of the 1:1 proton-transfer salt of the diazo-dye precursor 4-(phenyldiazenyl)aniline (aniline yellow) with L-tartaric acid

G. Smith, U. D. Wermuth and D. J. Young

Formula: C₁₂H₁₂N₃⁺·C₄H₅O₆^-

Online 8 June 2010

 

Acta Cryst. (2010). C66, o349-o352  [ doi:10.1107/S0108270110020895 ]

L-Isoleucyl-L-asparagine 1.094-hydrate: a hybrid hydrogen-bonding pattern

C. H. Görbitz and P. H. Backe

Formula: C₁₀H₁₉N₃O₄·1.094H₂O

Online 10 June 2010

 

Acta Cryst. (2010). C66, o353-o355  [ doi:10.1107/S0108270110020688 ]

Ethyl 3-[1-(5,5-dimethyl-2-oxo-1,3,2-dioxaphosphorin-2-yl)propan-2-ylidene]carbazate: a combined X-ray and density functional theory (DFT) study

Y. Arfaoui, S. Kouass, N. Salah, A. Ben Akacha and A. Guesmi

Formula: C₁₁H₂₁N₂O₅P

Online 10 June 2010

 

Acta Cryst. (2010). C66, o356-o360  [ doi:10.1107/S0108270110021736 ]

Cocrystals of 2,3,5,6-tetrafluorobenzene-1,4-diol with diaza aromatic compounds

A. Czapik and M. Gdaniec

Formula: C₆H₂F₄O₂·C₄H₄N₂, C₆H₂F₄O₂·C₈H₆N₂ and C₆H₂F₄O₂·2C₁₂H₈N₂

Online 11 June 2010

 

Acta Cryst. (2010). C66, o361-o363  [ doi:10.1107/S0108270110022092 ]

Influence of 1,4-dioxane solvent inclusion on the crystal structure of 5,5'-diphenyl-2,2'-(p-phenylene)di-1,3-oxazole (POPOP)

D. Schindler, M. Felsmann and E. Weber

Formula: C₂₄H₁₆N₂O₂ and C₂₄H₁₆N₂O₂·2C₄H₈O₂

Online 23 June 2010

 

Acta Cryst. (2010). C66, o364-o368  [ doi:10.1107/S0108270110019827 ]

Structural comparison of three N-(4-halogenophenyl)-N'-[1-(2-pyridyl)ethylidene]hydrazine hydrochlorides

J. Heilmann-Brohl, M. Wagner, H.-W. Lerner and M. Bolte

Formula: C₁₃H₁₃ClN₃⁺·Cl^-·CH₃OH, C₁₃H₁₃FN₃⁺·Cl^- and C₁₃H₁₃FN₃⁺·Cl^-·2CH₃OH

Online 23 June 2010

 

Acta Cryst. (2010). C66, o369-o373  [ doi:10.1107/S0108270110023188 ]

N,N'-Diethyl-4-nitrobenzene-1,3-diamine, 2,6-bis(ethylamino)-3-nitrobenzonitrile and bis(4-ethylamino-3-nitrophenyl) sulfone

T. J. Payne, C. R. Thurman, H. Yu, Q. Sun, D. K. Mohanty, P. J. Squattrito, M.-R. Giolando, C. R. Brue and K. Kirschbaum

Formula: C₁₀H₁₅N₃O₂, C₁₁H₁₄N₄O₂ and C₁₆H₁₈N₄O₆S

Online 23 June 2010

 

Acta Cryst. (2010). C66, o374-o380  [ doi:10.1107/S0108270110022328 ]

Low-dimensional hydrogen-bonded structures in the 1:1 and 1:2 proton-transfer compounds of 4,5-dichlorophthalic acid with the aliphatic Lewis bases triethylamine, diethylamine, n-butylamine and piperidine

G. Smith and U. D. Wermuth

Formula: C₆H₁₆N⁺·C₈H₃Cl₂O₄^-, C₄H₁₂N⁺·C₈H₃Cl₂O₄^-, 2C₄H₁₂N⁺·C₈H₂Cl₂O₄^2-·H₂O and 2C₅H₁₂N⁺·C₈H₂Cl₂O₄^2-·H₂O

Online 23 June 2010

 

Acta Cryst. (2010). C66, o381-o384  [ doi:10.1107/S0108270110024261 ]

Conformational disorder in 4-(5,5'-dibromo-2'-chloro-4,4'-bipyridyl-2-yl)benzaldehyde: role of - and halogen interactions

M. Abboud, A. Kadimi, V. Mamane and E. Aubert

Formula: C₁₇H₉Br₂ClN₂O

Online 29 June 2010

 

Acta Cryst. (2010). C66, e13  [ doi:10.1107/S0108270110025035 ]

Two isomorphous crotonatolanthanide complexes: tetra--but-2-enoato-bis[diaqua(but-2-enoato)Ln]-2,6-diaminopurine (1/2) (Ln = Dy and Ho). Corrigendum

A. M. Atria, A. Astete, M. T. Garland and R. Baggio

Synopsis: Corrigendum to Acta Cryst. (2009), C65, m411-m414.

Formula: [Dy₂(C₄H₅O₂)₆(H₂O)₄]·2C₅H₆N₆ and [Ho₂(C₄H₅O₂)₆(H₂O)₄]·2C₅H₆N₆

Online 29 June 2010