Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 4 (April 2013)



[Issue Author Index][Volume Author Index]
[Cover illustration] Cover illustration: The heavy-atom framework in MgSO4·11H2O (with H atoms omitted for clarity). Dashed and solid lines are used to distinguish the hydrogen-bonded rings in different planes. See Fortes, Wood & Gutmann [Acta Cryst. (2013), C69, 324-329].

editorial


 

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Acta Cryst. (2013). C69, 313-314  [ doi:10.1107/S0108270113007592 ]

Broadening the scope of Acta Crystallographica Section C

A. Linden

Synopsis: Editorial

Online 10 April 2013


inorganic compounds


 

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Acta Cryst. (2013). C69, 315-318  [ doi:10.1107/S0108270113005684 ]

The interpenetrated three-dimensional framework of a new mixed lithium/ammonium perchlorate grown in a gel medium

S. Walha, M. Bouchaala and A. Ben Salah

Synopsis: A sample of Li0.41(NH4)0.59ClO4 was prepared by gel diffusion using agar agar gel as the medium of growth at ambient temperature. The Cl and mixed Li/N atoms are located on special positions. The structure features a twofold interpenetrated three-dimensional entanglement architecture, in which single three-dimensional networks are constructed from tetrahedral coordination based on diamondoid arrays. The crystal structure is compared with those of related compounds.

Formula: Li0.41(NH4)0.59ClO4

Online 8 March 2013


 

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Acta Cryst. (2013). C69, 319-323  [ doi:10.1107/S0108270113006203 ]

K and Ba distribution in the structures of the clathrate compounds KxBa16-x(Ga,Sn)136 (x = 0.8, 4.4, and 12.9) and KxBa8-x(Ga,Sn)46 (x = 0.3)

M. C. Schäfer and S. Bobev

Synopsis: Four clathrates with type-I and type-II structure are reported in the K-Ba-Ga-Sn system. For the type-I compound, all framework sites are occupied by a mixture of Ga and Sn atoms, with Ga showing a preference for Wyckoff site 6c. For the type-II structures, only the smaller (Ga,Sn)24 pentagonal dodecahedral cages are filled, while the (Ga,Sn)28 hexakaidecahedral cages remain empty.

Formula: K0.8Ba15.2Ga31.0Sn105.0, K4.3Ba11.7Ga27.4Sn108.6, K12.9Ba3.1Ga19.5Sn116.5 and K7.7Ba0.3Ga8.3Sn37.7

Online 12 March 2013


 

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Acta Cryst. (2013). C69, 324-329  [ doi:10.1107/S0108270113005751 ]

MgSO4·11H2O and MgCrO4·11H2O based on time-of-flight neutron single-crystal Laue data

A. D. Fortes, I. G. Wood and M. J. Gutmann

Synopsis: The structure of magnesium sulfate undecahydrate and its hexavalent chromium-bearing analogue are compared, elucidating details of the strain distribution through the hydrogen-bonded structure due to the substitution of a much larger oxyanion.

Formula: [Mg(H2O)6](SO4)·5H2O and [Mg(H2O)6](CrO4)·5H2O

Online 12 March 2013


 

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Acta Cryst. (2013). C69, 330-333  [ doi:10.1107/S0108270113005969 ]

Fe2(SO4)3·H2SO4·28H2O, a low-temperature water-rich iron(III) sulfate

H. Schmidt, E. Hennings, P. Zürner and W. Voigt

Synopsis: Analysis of the title compound, diiron(III) trisulfate-sulfuric acid-water (1/1/28), at 100 and 200 K reveals the structural features of an alum, (H5O2)Fe(SO4)2·12H2O. The Fe(H2O)6 unit is located on a centre of inversion, while the H5O2+ cation is located about an inversion centre. The compound thus represents the first oxonium alum, although the unit cell is orthorhombic.

Formula: Fe2(SO4)3·H2SO4·28H2O at 100 and 200 K

Online 14 March 2013


 

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Acta Cryst. (2013). C69, 334-336  [ doi:10.1107/S0108270113006069 ]

Monoclinic structure and nonstoichiometry of `KAlSiO4-O1'

A. Kremenovic, B. Lazic, H. Krüger, M. Tribus and P. Vulic

Synopsis: The crystal structure of KAlSiO4-O1 was refined from single-crystal data, taking multiple twinning into account. Electron microprobe analysis confirmed that the compound is not stoichiometric.

Formula: KAlSiO4

Online 14 March 2013


metal-organic compounds


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Acta Cryst. (2013). C69, 337-339  [ doi:10.1107/S0108270113004708 ]

A bromine analogue of picoplatin: a new substance from the group of platinum-based chemotherapeutics

R. Pazout, J. Maixner, M. Hrdá, T. Louzilová and P. Kacer

Formula: [PtBr2(C6H7N)(NH3)]

Online 6 March 2013


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Acta Cryst. (2013). C69, 340-343  [ doi:10.1107/S010827011300499X ]

Polymorphism of mer-[mu]-oxalato-bis[chloridotripyridinecobalt(II)] pyridine disolvate

B. Modec

Formula: [Co2(C2O4)Cl2(C5H5N)6]·2C5H5N

Online 6 March 2013


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Acta Cryst. (2013). C69, 344-347  [ doi:10.1107/S0108270113005313 ]

A one-dimensional coordination polymer of 5-[(imidazol-1-yl)methyl]benzene-1,3-dicarboxylic acid with CuII cations

R. Patra and I. Goldberg

Formula: [Cu(C12H9N2O4)2]·2C3H7NO and [Cu(C12H9N2O4)2]·2C4H9NO

Online 6 March 2013


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Acta Cryst. (2013). C69, 348-350  [ doi:10.1107/S0108270113005118 ]

Bis[[mu]-2-({2-[2-(2-chlorophenoxy)-1-oxidoethylidene]hydrazinylidene}methyl)phenolato]bis[pyridinecopper(II)] methanol disolvate

N. Zhao

Formula: [Cu2(C15H11ClN2O3)2(C5H5N)2]·2CH4O

Online 6 March 2013


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Acta Cryst. (2013). C69, 351-355  [ doi:10.1107/S0108270113005088 ]

Tetraaqua(4,4'-dimethyl-2,2'-bipyridine-[kappa]2N,N')nickel(II) sulfate monohydrate: a simple molecule with an extremely complex hydrogen-bonding scheme

S. Suarez, F. Doctorovich, M. A. Harvey and R. Baggio

Formula: [Ni(C12H12N2)(H2O)4]SO4·H2O

Online 6 March 2013


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Acta Cryst. (2013). C69, 356-359  [ doi:10.1107/S0108270113005817 ]

A one-dimensional silver(I) coordination polymer based on the 2-[2-(pyridin-4-yl)-1H-benzimidazol-1-ylmethyl]phenol ligand exhibiting photoluminescence

D.-C. Hu, C.-H. Xiao, G.-Z. Guo, Y.-X. Yang and J.-C. Liu

Formula: [Ag(C19H15N3O)]ClO4·H2O

Online 8 March 2013


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Acta Cryst. (2013). C69, 360-362  [ doi:10.1107/S0108270113005143 ]

A fourfold interpenetrating diamondoid three-dimensional coordination polymer: poly[[[[mu]2-1,2-bis(pyridin-4-yl)ethene-[kappa]2N:N']([mu]2-5-hydroxyisophthalato-[kappa]2O1:O3)zinc(II)] 1,2-bis(pyridin-4-yl)ethene hemisolvate]

G.-H. Wang and Y.-Q. Lei

Formula: [Zn(C8H4O5)(C12H10N2)]·0.5C12H10N2

Online 8 March 2013


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Acta Cryst. (2013). C69, 363-366  [ doi:10.1107/S0108270113005489 ]

Two complexes derived from the reaction of M3(CO)12 clusters (M = Ru, Os) with the 9-(triphenylphosphonio)fluorenide ylide: tricarbonyl[9-(triphenylphosphonio)fluorenylidene]ruthenium and nonacarbonyl-[mu]3-fluorenylidene-[mu]2-hydrido-triangulo-triosmium(III)

A. Arce, Y. De Sanctis, E. Galarza, M. T. Garland and R. Baggio

Formula: [Ru(C31H21P)(CO)3] and [Os3H(C13H7)(CO)9]

Online 8 March 2013


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Acta Cryst. (2013). C69, 367-371  [ doi:10.1107/S0108270113005982 ]

Three isomorphous two-dimensional coordination polymers generated from a benzimidazole bridging ligand and ZnX2 (X = Cl, Br and I)

Y.-F. Zhang, J.-P. Ma, Q.-K. Liu and Y.-B. Dong

Formula: [Zn(C26H18N3O2)Cl], [Zn(C26H18N3O2)Br] and [Zn(C26H18N3O2)I]

Online 12 March 2013


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Acta Cryst. (2013). C69, 372-375  [ doi:10.1107/S0108270113006537 ]

A dinuclear zinc complex containing a diamond-core geometry: [Zn2([mu]2-GueO)2(GueO)2(py)2]·0.5(toluene) (GueOH is guethol)

R. Petrus and P. Sobota

Formula: [Zn2(C8H9O2)4(C5H5N)2]·0.5C7H8

Online 12 March 2013


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Acta Cryst. (2013). C69, 376-379  [ doi:10.1107/S0108270113006367 ]

Analogy to a Chinese knot in an ion-pair copper(II)-neodymium(III) complex based on a hexadentate Schiff base condensation product of 5-bromosalicylaldehyde and glycylglycine

L.-Q. Xu, L.-P. Lu and M.-L. Zhu

Formula: [Cu4Nd2(C11H8BrN2O4)4(H2O)10][Cu(C11H8BrN2O4)]2·14H2O

Online 14 March 2013


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Acta Cryst. (2013). C69, 380-383  [ doi:10.1107/S0108270113006719 ]

catena-Poly[1,4-dihydroxy-1,4-diazoniabicyclo[2.2.2]octane [aquatri-[mu]-chlorido-trichloridodicuprate(II)]]

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

Formula: (C6H14N2O2)[Cu2Cl6(H2O)]

Online 14 March 2013


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Acta Cryst. (2013). C69, 384-387  [ doi:10.1107/S0108270113006380 ]

(4,6-Dimethyl-2-sulfanylidenepyrimidin-1-ium) trichlorido(thiourea-[kappa]S)zinc(II)

W.-W. Fu, M.-S. Chen, Y. Liu and F.-X. Zhang

Formula: (C6H9N2S)[ZnCl3(CH4N2S)]

Online 20 March 2013


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Acta Cryst. (2013). C69, 388-393  [ doi:10.1107/S0108270113006379 ]

Understanding the microcrystal tests of three related phenethylamines: the ortho-metallated (±)-amphetamine formed with gold(III) chloride, and the tetrachloridoaurate(III) salts of (+)-methamphetamine and (±)-ephedrine

M. R. Wood and R. A. Lalancette

Formula: [Au(C9H12N)Cl2], (C10H16N)[AuCl4] and (C10H16NO)[AuCl4]

Online 20 March 2013


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Acta Cryst. (2013). C69, 394-399  [ doi:10.1107/S0108270113006987 ]

Two novel lead(II) complexes of 2-(hydroxymethyl)pyridine: a threefold diamondoid supramolecular network based on Pb4O4 cores and a two-dimensional (4,4) network based on Pb2O2 units

T. Liu, Y.-P. Pan, S. Wang and J.-M. Dou

Formula: [Pb4(C6H6NO)4Cl4] and [Pb(C6H6NO)(NO3)]

Online 29 March 2013


organic compounds


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Acta Cryst. (2013). C69, 400-402  [ doi:10.1107/S0108270113003685 ]

The bis(ethylenedithio)tetrathiafulvalene-based ionic charge-transfer complex with 2,3-dichloro-5,6-dicyano-p-benzoquinone

Y. Nakagawa, Y. Takahashi, J. Harada and T. Inabe

Formula: C10H8S8·C8Cl2N2O2

Online 6 March 2013


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Acta Cryst. (2013). C69, 403-406  [ doi:10.1107/S0108270113005106 ]

The structure of the 1H-imidazol-3-ium lawsonate salt aided by ab initio gas-phase calculations

M. A. Ribeiro, W. X. C. Oliveira, H. O. Stumpf and C. B. Pinheiro

Formula: C3H5N2+·C10H5O3-

Online 6 March 2013


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Acta Cryst. (2013). C69, 407-411  [ doi:10.1107/S0108270113005325 ]

Similarities and differences in the structures of 5-bromo-6-hydroxy-7,8-dimethylchroman-2-one and 6-hydroxy-7,8-dimethyl-5-nitrochroman-2-one

S. K. Goswami, L. R. Hanton, C. J. McAdam, S. C. Moratti and J. Simpson

Formula: C11H11BrO3 and C11H11NO5

Online 6 March 2013


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Acta Cryst. (2013). C69, 412-415  [ doi:10.1107/S0108270113004812 ]

Isomorphous methyl- and chloro-substituted small heterocyclic analogues obeying the chlorine-methyl (Cl-Me) exchange rule

V. Rajni Swamy, P. Müller, N. Srinivasan, S. Perumal and R. V. Krishnakumar

Formula: C26H18F3N3OS and C25H15ClF3N3OS

Online 6 March 2013


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Acta Cryst. (2013). C69, 416-420  [ doi:10.1107/S0108270113005386 ]

Betaine 0.77-perhydrate 0.23-hydrate and common structural motifs in crystals of amino acid perhydrates

V. S. Minkov, E. A. Kapustin and E. V. Boldyreva

Formula: C5H11NO2·0.77H2O2·0.23H2O

Online 6 March 2013


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Acta Cryst. (2013). C69, 421-427  [ doi:10.1107/S0108270113006185 ]

Supramolecular synthesis based on piperidone derivatives and pharmaceutically acceptable co-formers

B. Sandhu, S. Draguta, T. L. Kinnibrugh, V. N. Khrustalev and T. V. Timofeeva

Formula: 2C27H36N3O+·C4H4O42-, 2C27H36N3O+·C10H16O42- and C27H35N3O·CH4O

Online 12 March 2013


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Acta Cryst. (2013). C69, 428-435  [ doi:10.1107/S0108270113005878 ]

Frovatriptan salts of aliphatic carboxylic acids

K. Ravikumar, B. Sridhar, J. B. Nanubolu, V. Hariharakrishnan and B. V. Rao

Formula: C14H18N3O+·C2H3O2-, C14H18N3O+·C4H5O4-·H2O and 2C14H18N3O+·C4H4O42-·3H2O

Online 12 March 2013


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Acta Cryst. (2013). C69, 436-438  [ doi:10.1107/S0108270113005659 ]

5,5-Dimethyl-2,8-diphenyl-5H-dibenzo[b,f]silepine: a synchrotron study

W. Clegg, R. W. Harrington, L. G. Mercier and W. E. Piers

Formula: C28H24Si

Online 14 March 2013


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Acta Cryst. (2013). C69, 439-443  [ doi:10.1107/S0108270113006288 ]

Di(phenylpropylamino)gossypol: a derivative of the dimeric natural product gossypol

C. A. Zelaya, E. D. Stevens and M. K. Dowd

Formula: C48H52N2O6 at 296 and 120 K

Online 14 March 2013


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Acta Cryst. (2013). C69, 444-447  [ doi:10.1107/S0108270113005970 ]

Hydrogen-bonded and [pi]-interaction assembly in two 8-alkoxycarbonyl-1,8-diazabicyclo[5.4.0]undec-7-enium chloride salts

E. Mesto and E. Quaranta

Formula: C16H21N2O2+·Cl- and C11H19N2O2+·Cl-·H2O

Online 14 March 2013


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Acta Cryst. (2013). C69, 448-452  [ doi:10.1107/S0108270113006458 ]

A hydrogen-bonded tetramer in (2RS,4SR)-7-bromo-2-(2-methylphenyl)-2,3,4,5-tetrahydro-1H-naphtho[1,2-b]azepin-4-ol and a three-dimensional hydrogen-bonded framework in (2RS,4SR)-2-(3-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1H-naphtho[1,2-b]azepin-4-ol

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

Formula: C21H20BrNO and C19H19NOS

Online 20 March 2013


addenda and errata


 

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Acta Cryst. (2013). C69, 453  [ doi:10.1107/S0108270113003521 ]

Two new XP(O)[NHC(CH3)3]2 phosphoramidates, with X = (CH3)2N and [(CH3)3CNH]2P(O)(O). Corrigendum

M. Pourayoubi, A. Tarahhomi, F. Karimi Ahmadabad, K. Fejfarová, A. van der Lee and M. Dusek

Synopsis: Corrigendum to Acta Cryst. (2012), C68, o164-o169.

Formula: C10H26N3OP and C16H40N4O3P2

Online 14 March 2013


 

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Acta Cryst. (2013). C69, 454  [ doi:10.1107/S0108270113007129 ]

(E)-3-(Benzo[b]thiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrile and (Z)-3-(benzo[b]thiophen-2-yl)-2-(3,4-dimethoxyphenyl)acrylonitrile. Corrigendum

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

Synopsis: Corrigendum to Acta Cryst. (2007), C63, o743-o745.

Formula: C20H17NO3S and C19H15NO2S

Online 20 March 2013


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