Acta Crystallographica Section C

Crystal Structure Communications

Volume 68, Part 10 (October 2012)



[Issue Author Index][Volume Author Index]
[Cover illustration] Cover illustration: The N-H...O hydrogen-bonded chain in the crystal structure of 4-iodo-N-(4-methoxy­phenyl)benzenesulfonamide. Hydrogen bonds are shown as dashed lines. See Gelbrich, Threlfall & Hursthouse [Acta Cryst. (2012), C68, o421-o426].

inorganic compounds


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Acta Cryst. (2012). C68, i65-i67  [ doi:10.1107/S0108270112035627 ]

Ni2Sn2Zn from single-crystal X-ray diffraction

C. Schmetterer, D. Rajamohan, H. S. Effenberger and H. Flandorfer

Synopsis: The crystal structure of the cubic compound Ni2Sn2Zn is related to that of Ni5.20Sn8.7Zn4.16Cu1.04 and shows common structural elements with the atomic arrangements of the high-temperature phase of Ni3Sn2 and with Ni5Sn4Zn. It exhibits a considerable homogeneity range, along with mixed occupations and partially occupied sites.

Formula: Ni2Sn2Zn

Online 22 September 2012


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Acta Cryst. (2012). C68, i68-i70  [ doi:10.1107/S0108270112038176 ]

[Te8][NbOCl4]2 containing an infinite chain-like {[Te-Te-Te-(Te5)]2+}n polycation

C. Feldmann and D. Freudenmann

Synopsis: The title compound, [Te8][NbOCl4]2, crystallizes with triclinic lattice symmetry and consists of infinite {[Te8]2+}n cations associated with pyramidal [NbOCl4]- anions. The novel catena-octa­tellurium(2+) cation is composed of Te5 rings that are linked via Te3 units.

Formula: [Te8][NbOCl4]2

Online 22 September 2012


metal-organic compounds


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Acta Cryst. (2012). C68, m269-m274  [ doi:10.1107/S010827011203483X ]

Monodentate and bridging behaviour of the sulfur-containing ligand 4'-[4-(methyl­sulfan­yl)phen­yl]-4,2':6',4''-terpyridine in two discrete zinc(II) complexes with acetyl­acetonate

J. Granifo, R. Gaviño, E. Freire and R. Baggio

Formula: [Zn(C5H7O2)2(C22H17N3S)2] and [Zn2(C5H7O2)4(C22H17N3S)]

Online 1 September 2012


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Acta Cryst. (2012). C68, m275-m280  [ doi:10.1107/S0108270112036773 ]

Two tetra­nuclear zinc clusters, [Zn4([mu]3-OEt)2([mu]2-MalO)4Et2] and [Zn4([mu]3-GueO)2([mu]2-GueO)2([mu]2-MalO)2(MalO)2]·2C7H8, containing defective dicubane core geometries (MalOH is maltol and GueOH is guethol)

R. Petrus and P. Sobota

Formula: [Zn4(C2H5)2(C2H5O)2(C6H5O3)4] and [Zn4(C6H5O3)4(C8H9O2)4]·2C7H8

Online 1 September 2012


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Acta Cryst. (2012). C68, m281-m283  [ doi:10.1107/S0108270112035846 ]

catena-Poly[[silver(I)-[mu]-[9,10-bis­(1H-benzimidazol-1-ylmethyl)anthracene]-[kappa]2N3:N3'] bis­(nitrato-[kappa]O)silver(I)]

J.-L. Du, X.-L. Zhu and P. Li

Formula: [Ag(C30H22N4)][Ag(NO3)2]

Online 6 September 2012


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Acta Cryst. (2012). C68, m284-m286  [ doi:10.1107/S010827011203750X ]

Poly[[bis­{[mu]2-N2,N6-bis­[(pyridin-3-yl)methyl]pyridine-2,6-dicarbox­amide}dichloridonickel(II)] N,N-dimethyl­formamide tetra­solvate]

Y.-P. Guo, D.-Y. Li and G.-T. Li

Formula: [NiCl2(C19H17N5O2)2]·4C3H7NO

Online 6 September 2012


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Acta Cryst. (2012). C68, m287-m290  [ doi:10.1107/S010827011203209X ]

Magnetic properties of a mononuclear iron(II) complex with a typical FeN6 coordination octa­hedron

F. Yu

Formula: [Fe(NCS)2(C22H20N4)]

Online 14 September 2012


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Acta Cryst. (2012). C68, m291-m294  [ doi:10.1107/S0108270112038498 ]

The heterobifunctional ligand 5-[4-(1,2,4-triazol-4-yl)phen­yl]-1H-tetra­zole and its role in the construction of a CdII metal-organic chain structure

A. B. Lysenko

Formula: C9H7N7 and [Cd(C9H6N7)2(H2O)2]

Online 18 September 2012


organic compounds


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Acta Cryst. (2012). C68, o373-o376  [ doi:10.1107/S0108270112036001 ]

Planarity of benzoyl­hydrazine-dithio­carbazoate tuberculostatics. I. N'-Methyl-substituted 3,4-dichloro­benzoyl monoesters

M. Szczesio, A. Olczak, K. Gobis, H. Foks and M. L. Glówka

Formula: C10H10Cl2N2OS2, C13H16Cl2N2OS2 and C11H10Cl2N2OS2

Online 1 September 2012


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Acta Cryst. (2012). C68, o377-o380  [ doi:10.1107/S0108270112036359 ]

4,6-Diamino­pyrimidine-2(1H)-thione hemihydrate: a three-dimensional hydrogen-bonded framework

Z. Zhang, D. Xian and C. Glidewell

Formula: C4H6N4S·0.5H2O

Online 1 September 2012


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Acta Cryst. (2012). C68, o381-o382  [ doi:10.1107/S0108270112035949 ]

Bis(tert-butyl­dimethyl­silyl)(2,6-diiso­propyl­phenyl)phosphane: the first structure of an organophosphane with two tert-butyl­dimethyl­silyl (TBDMS) substituents

R. T. Boeré and M. Taghavikish

Formula: C24H47PSi2

Online 1 September 2012


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Acta Cryst. (2012). C68, o383-o386  [ doi:10.1107/S0108270112037195 ]

Helical self-assembly of 2-(1,4,7,10-tetra­aza­cyclo­dodecan-1-yl)cyclo­hexan-1-ol (cycyclen)

A. S. de Sousa, D. Sannasy, M. A. Fernandes and H. M. Marques

Formula: C14H30N4O

Online 4 September 2012


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Acta Cryst. (2012). C68, o387-o391  [ doi:10.1107/S0108270112035962 ]

Three anilides of 2,2'-thio­di­benzoic acid

M. Helliwell, S. Moosun, M. G. Bhowon, S. Jhaumeer-Laulloo and J. A. Joule

Formula: C28H24N2O2S, C30H28N2O2S and C26H18Br2N2O2S

Online 7 September 2012


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Acta Cryst. (2012). C68, o392-o394  [ doi:10.1107/S0108270112037602 ]

Isoquinolin-5-amine

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

Formula: C9H8N2

Online 7 September 2012


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Acta Cryst. (2012). C68, o395-o398  [ doi:10.1107/S0108270112038267 ]

5-Ethynyl-2'-de­oxy­cytidine: a DNA building block with a `clickable' side chain

F. Seela, H. Mei, H. Xiong, S. Budow, H. Eickmeier and H. Reuter

Formula: C11H13N3O4

Online 12 September 2012


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Acta Cryst. (2012). C68, o399-o404  [ doi:10.1107/S0108270112036396 ]

Three new [XC(O)NH]P(O)[N(CH2C6H5)2]2 phospho­ric triamides (X = CClF2, 3-F-C6H4 and 3,5-F2-C6H3): a database analysis of tertiary N-atom geometry in compounds with a C(O)NHP(O)[N]2 core

M. Pourayoubi, J. P. Jasinski, S. Shoghpour Bayraq, H. Eshghi, A. C. Keeley, G. Bruno and H. Amiri Rudbari

Formula: C30H29ClF2N3O2P, C35H33FN3O2P and C35H32F2N3O2P

Online 12 September 2012


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Acta Cryst. (2012). C68, o405-o407  [ doi:10.1107/S0108270112038322 ]

The effect of hydrogen bonding on the conformations of 2-(1H-indol-3-yl)-2-oxoacetamide and 2-(1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide

V. N. Sonar, S. Parkin and P. A. Crooks

Formula: C10H8N2O2 and C12H12N2O2

Online 13 September 2012


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Acta Cryst. (2012). C68, o408-o412  [ doi:10.1107/S0108270112038462 ]

(E)-N'-(4-Chloro­benzyl­idene)-, (E)-N'-(4-bromo­benzyl­idene)- and (E)-N'-[4-(diethyl­amino)­benzyl­idene]- derivatives of 4-hy­droxy­benzo­hydrazide

A. Subashini, K. Ramamurthi and H. Stoeckli-Evans

Formula: C14H11ClN2O2, C14H10BrN2O2 and C18H21N3O2

Online 13 September 2012


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Acta Cryst. (2012). C68, o413-o416  [ doi:10.1107/S010827011203805X ]

An irreversible phase transition in 1-n-butyl­indeno­[2,1-c]pyran-3,9-dione

A. S. Batsanov, J. A. K. Howard, N. Wu, Z. Yang and T. B. Marder

Formula: Polymorphs of C16H14O3

Online 15 September 2012


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Acta Cryst. (2012). C68, o417-o420  [ doi:10.1107/S0108270112039182 ]

Bis(4-methyl­phenyl­sulfon­yl)amino 4-methyl­benzene­sulfonate: a new member of the (RSO2)ON(SO2R)2 family

S. Suarez, F. Doctorovich and R. Baggio

Formula: C21H21NO7S3

Online 18 September 2012


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Acta Cryst. (2012). C68, o421-o426  [ doi:10.1107/S0108270112039297 ]

Eight isostructural 4,4'-disubstituted N-phenyl­benzene­sulfonamides

T. Gelbrich, T. L. Threlfall and M. B. Hursthouse

Formula: C14H12N2O3S, C14H12F3NO3S, C13H12INO3S, C13H12BrNO3S, C13H12ClNO3S, C13H12FNO3S, C13H12ClNO3S and C13H10N2O2S

Online 21 September 2012


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Acta Cryst. (2012). C68, o427-o430  [ doi:10.1107/S0108270112039388 ]

Three derivatives of 4-fluoro-5-sulfonyl­isoquinoline

S. Ohba, N. Gomi, T. Ohgiya and K. Shibuya

Formula: C9H5ClFNO2S, C12H13FN2O3S and C15H19FN3O2S+·Cl-

Online 21 September 2012


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