Acta Crystallographica Section C

Crystal Structure Communications

Volume 68, Part 10 (October 2012)


	Cover illustration: The N-HO 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
metal-organic compounds
organic compounds

inorganic compounds

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 Ni_5.20Sn_8.7Zn_4.16Cu_1.04 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

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

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

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

Two tetranuclear zinc clusters, [Zn₄(₃-OEt)₂(₂-MalO)₄Et₂] and [Zn₄(₃-GueO)₂(₂-GueO)₂(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

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

catena-Poly[[silver(I)--[9,10-bis(1H-benzimidazol-1-ylmethyl)anthracene]-²N³:N^3'] bis(nitrato-O)silver(I)]

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

Formula: [Ag(C₃₀H₂₂N₄)][Ag(NO₃)₂]

Online 6 September 2012

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

Poly[[bis{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

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

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 Cd^II metal-organic chain structure

A. B. Lysenko

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

Online 18 September 2012

organic compounds

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

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

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

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

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

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

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

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

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

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

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

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

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

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

Acta Crystallographica Section C

Crystal Structure Communications

Volume 68, Part 10 (October 2012)

inorganic compounds

Ni2Sn2Zn from single-crystal X-ray diffraction

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

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

C. Feldmann and D. Freudenmann

metal-organic compounds

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

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

R. Petrus and P. Sobota

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

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

Poly[[bis{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

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

F. Yu

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

organic compounds

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

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

Z. Zhang, D. Xian and C. Glidewell

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

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

Three anilides of 2,2'-thiodibenzoic acid

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

Isoquinolin-5-amine

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

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

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

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

(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

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

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

S. Suarez, F. Doctorovich and R. Baggio

Eight isostructural 4,4'-disubstituted N-phenylbenzenesulfonamides

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

Three derivatives of 4-fluoro-5-sulfonylisoquinoline

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

Ni₂Sn₂Zn from single-crystal X-ray diffraction

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

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

catena-Poly[[silver(I)--[9,10-bis(1H-benzimidazol-1-ylmethyl)anthracene]-²N³:N^3'] bis(nitrato-O)silver(I)]

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

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

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

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

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