Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 3 (March 2013)



[Issue Author Index][Volume Author Index]
[Cover illustration] Cover illustration: Positive (0.2 e Å-3) and negative (-0.06 e Å-3) electrostatic potential isosurfaces of (Z)-4-[5-(2,6-difluorobenzyl)-1-(2-fluorobenzyl)-2-oxo-1,2-dihydropyridin-3-yl]-4-hydroxy-2-oxo-N-(2-oxopyrrolidin-1-yl)but-3-enamide shown in light and dark grey, respectively. See Basca, Okello, Singh & Nair [Acta Cryst. (2013), C69, 285-288].

metal-organic compounds


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Acta Cryst. (2013). C69, 209-211  [ doi:10.1107/S0108270113002333 ]

Dichlorido{N-[2-(diphenylphosphanyl)benzylidene]-2-methylaniline}palladium(II) acetonitrile monosolvate

W. M. Motswainyana, M. O. Onani, J. Jacobs and L. Van Meervelt

Formula: [PdCl2(C26H22NP)]·C2H3N

Online 5 February 2013


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Acta Cryst. (2013). C69, 212-215  [ doi:10.1107/S0108270113002230 ]

A polymeric cobalt(II) complex derived from citric acid (H4cit) and 2,6-diaminopurine (dap): {[Co4(cit)2(dap)4(H2O)4]·6.35H2O}n

A. M. Atria, J. Parada, M. T. Garland and R. Baggio

Formula: [Co4(C6H4O7)2(C5H6N6)4(H2O)4]·6.35H2O

Online 5 February 2013


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Acta Cryst. (2013). C69, 216-218  [ doi:10.1107/S0108270113002916 ]

A two-dimensional silver-iodide organic network constructed from a unique [Ag6I6] hexagonal prism-based one-dimensional column motif

S. Yuan, S.-S. Liu, H.-F. Lu, M.-Z. Xu and D. Sun

Formula: [Ag4I4(C11H16N4)]

Online 5 February 2013


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Acta Cryst. (2013). C69, 219-224  [ doi:10.1107/S0108270113002801 ]

Cadmium(II) iodide and thiocyanate complexes adopted by polycyclic 1,4-bis(pyridazin-4-yl)benzene: interplay of coordination and [pi]-[pi] stacking interactions

A. S. Degtyarenko and K. V. Domasevitch

Formula: [Cd(C14H10N4)4(H2O)2][Cd2I6] and [Cd(NCS)2(C14H10N4)]

Online 5 February 2013


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Acta Cryst. (2013). C69, 225-228  [ doi:10.1107/S0108270113000814 ]

A novel amido-pyrophosphate MnII chelate complex with the synthetic ligand O{P(O)[NHC(CH3)3]2}2 (L): [Mn(L)2{OC(H)N(CH3)2}2]Cl2·2H2O

A. Tarahhomi, M. Pourayoubi, K. Fejfarová and M. Dusek

Formula: [Mn(C16H40N4O3P2)2(C3H7NO)2]Cl2·2H2O

Online 5 February 2013


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Acta Cryst. (2013). C69, 229-231  [ doi:10.1107/S0108270113002758 ]

A helical coordination polymer of zinc(II), 4-hydroxybenzohydrazide and sulfate ions

H. Zaslona, P. Drozdzewski and M. Barys

Formula: [Zn(SO4)(C7H8N2O2)(H2O)2]

Online 5 February 2013


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Acta Cryst. (2013). C69, 232-236  [ doi:10.1107/S0108270113003405 ]

Cobalt(II) and cadmium(II) square grids supported with 4,4'-bipyrazole and accommodating 3-carboxyadamantane-1-carboxylate

O. M. Nazarenko, E. B. Rusanov, A. N. Chernega and K. V. Domasevitch

Formula: [Co(C12H15O4)2(C6H6N4)2]·2H2O and [Cd(C12H15O4)2(C6H6N4)2]·2H2O

Online 9 February 2013


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Acta Cryst. (2013). C69, 237-240  [ doi:10.1107/S0108270113003892 ]

A potential molecular ferroelectric material: poly[[bis(1-aza-4-azoniabicyclo[2.2.2]octane)di-[mu]3-chlorido-tetra-[mu]2-chlorido-dichloridotricadmium(II)] dihydrate]

Q.-Q. Zhou, L. Jin, W.-Q. Liao and Y. Zhang

Formula: [Cd3(C6H13N2)2Cl8]·2H2O

Online 16 February 2013


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Acta Cryst. (2013). C69, 241-243  [ doi:10.1107/S0108270113001352 ]

A one-dimensional coordination polymer with a three-dimensional supramolecular framework: catena-poly[[[(3,4,7,8-tetramethyl-1,10-phenanthroline)cadmium(II)]-[mu]3-4,4'-sulfonyldibenzoato] trihydrate]

J. Wang, J.-Q. Tao, X.-J. Xu and C.-Y. Tan

Formula: [Cd(C14H8O6S)(C16H16N2)]·3H2O

Online 20 February 2013


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Acta Cryst. (2013). C69, 244-246  [ doi:10.1107/S0108270113001716 ]

A one-dimensional coordination polymer based on Cd2O2 clusters: poly[aqua([mu]3-4,4'-sulfonyldibenzoato)(3,4,7,8-tetramethyl-1,10-phenanthroline-[kappa]2N,N')cadmium(II)]

J.-Q. Tao

Formula: [Cd(C14H8O6S)(C16H16N2)(H2O)]

Online 20 February 2013


organic compounds


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Acta Cryst. (2013). C69, 247-250  [ doi:10.1107/S010827011300231X ]

A tetrabromo-1,4-ethanonaphthalene and related dibromo-1,4-ethenonaphthalene

R. T. Boeré and C. O. Bender

Formula: C12H10Br4 and C12H8Br2

Online 5 February 2013


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Acta Cryst. (2013). C69, 251-254  [ doi:10.1107/S0108270113001893 ]

A new methanol solvate and Hirshfeld analysis of [pi]-stacking in 2,3,6,7,10,11-hexahydroxytriphenylene solvates

A. Karmakar, A. E. Platero-Prats and L. Öhrström

Formula: C18H12O6·CH4O

Online 5 February 2013


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Acta Cryst. (2013). C69, 255-257  [ doi:10.1107/S0108270113002072 ]

The perchlorotriphenylmethyl (PTM) radical

J. Guasch, X. Fontrodona, I. Ratera, C. Rovira and J. Veciana

Formula: C19Cl15

Online 5 February 2013


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Acta Cryst. (2013). C69, 258-262  [ doi:10.1107/S0108270113002369 ]

An X-ray crystallographic and density functional theory study of (3Z)-4-(5-ethylsulfonyl-2-hydroxyanilino)pent-3-en-2-one and (3Z)-4-(5-tert-butyl-2-hydroxyanilino)pent-3-en-2-one

K. J. Akerman and O. Q. Munro

Formula: C13H17NO4S and C15H21NO2

Online 5 February 2013


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Acta Cryst. (2013). C69, 263-266  [ doi:10.1107/S0108270113003089 ]

Zoledronic acid: monoclinic and triclinic polymorphs from powder diffraction data

V. V. Chernyshev, S. V. Shkavrov, K. A. Paseshnichenko, T. P. Puryaeva and Y. A. Velikodny

Formula: Two polymorphs of C5H10N2O7P2

Online 5 February 2013


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Acta Cryst. (2013). C69, 267-272  [ doi:10.1107/S0108270113002291 ]

An additional methylene group driving the conformation and assembly of two arylsulfonamide para-alkoxychalcone hybrids

M. R. C. de Castro, A. Q. Aragão, H. B. Napolitano, C. Noda-Perez and F. T. Martins

Formula: C22H19NO4S and C23H21NO4S

Online 5 February 2013


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Acta Cryst. (2013). C69, 273-276  [ doi:10.1107/S0108270113003041 ]

The low-melting compounds 1,4-diethyl-, 1,2-diethyl- and ethylbenzene

D. S. Yufit

Formula: Two isomers of C10H14, and C8H10

Online 5 February 2013


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Acta Cryst. (2013). C69, 277-281  [ doi:10.1107/S0108270113002539 ]

Two phosphonodehydrotripeptides: Boc0-Gly1-[Delta](Z)Phe2-[alpha]-Abu3PO3Me2 and Boc0-Gly1-[Delta](Z)Phe2-[alpha]-Nva3PO3Et2

A. Brzuszkiewicz, M. Makowski, M. Lisowski, E. Lis, M. Otreba and T. Lis

Formula: C21H32N3O7P and two solvates of C24H38N3O7P

Online 5 February 2013


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Acta Cryst. (2013). C69, 282-284  [ doi:10.1107/S0108270113000395 ]

2,2'-Anhydro-1-(3',5'-di-O-acetyl-[beta]-D-arabinofuranosyl)uracil, a cyclouridine nucleoside with a C4'-endo furanosyl conformation

Y. Fu, Y.-X. He, H.-X. Hou, W.-B. Zhu, H.-L. Li, C. Wu and F.-Y. Xian

Formula: C13H14N2O7

Online 12 February 2013


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Acta Cryst. (2013). C69, 285-288  [ doi:10.1107/S0108270113003806 ]

Solid-state tautomeric structure and invariom refinement of a novel and potent HIV integrase inhibitor

J. Bacsa, M. Okello, P. Singh and V. Nair

Formula: C27H22F3N3O5

Online 14 February 2013


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Acta Cryst. (2013). C69, 289-292  [ doi:10.1107/S0108270113004204 ]

Supramolecular networks of 10-(2-hydroxyethyl)acridin-9(10H)-one and 10-(2-chloroethyl)acridin-9(10H)-one

C.-S. He, L.-F. Liu, L. Guo and J.-Z. Wu

Formula: C15H13NO2 and C15H12ClNO

Online 14 February 2013


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Acta Cryst. (2013). C69, 293-298  [ doi:10.1107/S0108270113004344 ]

Three 2-(methysulfanyl)nicotinamides

L. R. Gomes, J. N. Low, J. L. Wardell, A. C. Pinheiro, T. C. N. de Mendonça and M. V. N. de Souza

Formula: C13H18N2OS, C10H14N2OS and C9H12N2O2S·2H2O

Online 16 February 2013


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Acta Cryst. (2013). C69, 299-302  [ doi:10.1107/S0108270113004502 ]

Two polymorphs of afobazole from powder diffraction data

V. V. Chernyshev, S. Petkune, A. Actins, R. Auzins, D. I. Davlyatshin, P. V. Nosyrev and Y. A. Velikodny

Formula: Two polymorphs of C15H23N3O2S2+·2Cl-

Online 19 February 2013


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Acta Cryst. (2013). C69, 303-306  [ doi:10.1107/S0108270113002503 ]

Relative configuration, absolute configuration and absolute structure of three isomeric 8-benzyl-2-[(4-bromophenyl)(hydroxy)methyl]-8-azabicyclo[3.2.1]octan-3-ones

K. Brzezinski, R. Lazny, A. Nodzewska and K. Sidorowicz

Formula: Three isomers of C21H22BrNO2

Online 19 February 2013


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Acta Cryst. (2013). C69, 307-312  [ doi:10.1107/S0108270113004551 ]

Three closely related thienyl-substituted 1,4-epoxynaphtho[1,2-b]azepines: hydrogen-bonded assembly in one, two and three dimensions

A. F. Yépes, A. Palma, J. Cobo and C. Glidewell

Formula: C19H17NOS, C19H17NOS and C18H14BrNOS

Online 20 February 2013


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