Acta Crystallographica Section C

Crystal Structure Communications

Volume 65, Part 11 (November 2009)


	Cover illustration: The structure of one of the two independent molecules of 3,3,6,6,9,9-hexaethyl-1,2,4,5,7,8-hexaoxacyclononane (DEKTP). Displacement ellipsoids are drawn at the 30% probability level and H atoms are shown as small spheres of arbitrary radii. See Cerna, Bernès, Cañizo & Eyler [Acta Cryst. (2009), C65, o562-o564].

inorganic compounds
metal-organic compounds
organic compounds

inorganic compounds

Acta Cryst. (2009). C65, i77-i80 [ doi:10.1107/S0108270109040293 ]

Natural monoclinic AgPb(Bi₂Sb)₃S₆, an Sb-rich gustavite

Synopsis: The crystal structure of the Sb-rich variety of the mineral gustavite, AgPb(Bi₂Sb)₃S₆, a naturally occuring monoclinic lillianite homologue with N = 4, has been solved and refined for the first time by means of single-crystal X-ray diffraction. The crystal structure consists of blocks of diagonal chains of four octahedra, viz. M1a (Bi), M2a (Sb/Bi), M2b (Bi/Sb) and M1b (Ag), separated by Pb atoms in a trigonal prismatic coordination.

Formula: AgPb(Bi₂Sb)₃S₆

Online 21 October 2009

Acta Cryst. (2009). C65, i81-i84 [ doi:10.1107/S0108270109028881 ]

Sodium magnesium sulfate decahydrate, Na₂Mg(SO₄)₂·10H₂O, a new sulfate salt

E. M. S. Leduc, R. C. Peterson and R. Wang

Synopsis: The crystal structure of sodium magnesium sulfate decahydrate was solved and refined for the first time. Alternating layers of [Mg(H₂O)₆]²⁺ and [Na₂(SO₄)₂(H₂O)₄]^2- ions, parallel to [100], are held together by hydrogen bonding.

Formula: Na₂Mg(SO₄)₂·10H₂O

Online 24 October 2009

Acta Cryst. (2009). C65, i85-i86 [ doi:10.1107/S0108270109036865 ]

A new polymorph of Cu₃B₂O₆

N. V. Kuratieva, D. Mikhailova and H. Ehrenberg

Synopsis: A new polymorph of nonacopper(II) bis(orthoborate) bis(hexaoxodiborate), Cu₉(BO₃)₂(B₂O₆)₂, or Cu₃B₂O₆ with Z' = 3, has a pseudo-layered monoclinic structure containing BO₃ triangles and B₂O₆ units consisting of corner-sharing BO₃ triangles and BO₄ tetrahedra. The compound was obtained during an investigation of the Li-Cu-B-O system. In contrast to the triclinic form of Cu₃B₂O₆, the layers are linked to one another by BO₄ tetrahedra.

Formula: Cu₉(BO₃)₂(B₂O₆)₂

Online 24 October 2009

metal-organic compounds

Acta Cryst. (2009). C65, m411-m414 [ doi:10.1107/S0108270109037512 ]

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

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

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

Online 7 October 2009

Acta Cryst. (2009). C65, m415-m417 [ doi:10.1107/S0108270109037184 ]

A benzene-rich pseudopolymorph of bis[-1,3-bis(pentafluorophenyl)propane-1,3-dionato]-³O,O':O';³O:O,O'-bis{aqua[1,3-bis(pentafluorophenyl)propane-1,3-dionato-²O,O']nickel(II)} benzene tetrasolvate

A. Hori and M. Mizutani

Formula: [Ni₂(C₁₅HF₁₀O₂)₄(H₂O)₂]·4C₆H₆

Online 7 October 2009

Acta Cryst. (2009). C65, m418-m421 [ doi:10.1107/S0108270109036488 ]

catena-Poly[bis[silver(I)-₂-4,4'-bipyridine-²N:N'] naphthalene-2,6-dicarboxylate tetrahydrate]: self-assembly of a supramolecular framework via coordination bonds and supramolecular interactions

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

Formula: [Ag₂(C₁₀H₈N₂)₂](C₁₂H₆O₄)·4H₂O

Online 10 October 2009

Acta Cryst. (2009). C65, m422-m425 [ doi:10.1107/S0108270109038268 ]

Trans influence in a mer-octahedral triiodidolanthanide: triiodidotris(tetrahydrofuran-O)ytterbium(III)

T. J. Emge, A. Kornienko and J. G. Brennan

Formula: [YbI₃(C₄H₈O)₃]

Online 10 October 2009

Acta Cryst. (2009). C65, m426-m430 [ doi:10.1107/S0108270109034763 ]

Monohalogenated ferrocenes C₅H₅FeC₅H₄X (X = Cl, Br and I) and a second polymorph of C₅H₅FeC₅H₄I

A. S. Romanov, J. M. Mulroy, V. N. Khrustalev, M. Yu. Antipin and T. V. Timofeeva

Formula: [Fe(C₅H₅)(C₅H₄Cl)], [Fe(C₅H₅)(C₅H₄Br)] and [Fe(C₅H₅)(C₅H₄I)]

Online 17 October 2009

Acta Cryst. (2009). C65, m431-m435 [ doi:10.1107/S0108270109035902 ]

Insight into the structures of [M(C₅H₄I)(CO)₃] and [M₂(C₁₂H₈)(CO)₆] (M = Mn and Re) containing strong IO and (CO)-(CO) interactions

A. S. Romanov, J. M. Mulroy, M. Yu. Antipin and T. V. Timofeeva

Formula: [Mn(C₅H₄I)(CO)₃], [Mn₂(C₁₂H₈)(CO)₆], [Re(C₅H₄I)(CO)₃] and [Re₂(C₁₂H₈)(CO)₆]

Online 17 October 2009

Acta Cryst. (2009). C65, m436-m439 [ doi:10.1107/S0108270109040566 ]

Copper(II) succinate complexes with 1,2-di-4-pyridylethane and 1,3-di-4-pyridylpropane

M. J. González Garmendia, V. S. Nacianceno, J. M. Seco and F. J. Zúñiga

Formula: [Cu₂(C₄H₄O₄)₂(C₁₂H₁₂N₂)] and [Cu₂(C₄H₄O₄)₂(C₁₃H₁₄N₂)]

Online 17 October 2009

Acta Cryst. (2009). C65, m440-m442 [ doi:10.1107/S0108270109042176 ]

catena-Poly[silver(I)-₂-4,4'-bipyridine-²N:N'-₃-chlorido]: self-assembly of a two-dimensional bilayer silver(I) coordination polymer from AgCl and a bipodal spacer

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

Formula: [AgCl(C₁₀H₈N₂)]

Online 21 October 2009

Acta Cryst. (2009). C65, m443-m446 [ doi:10.1107/S0108270109042280 ]

Titanium complexes with sulfur-linked bis(phenolate) ligands

T. S. Dols, T. P. Spaniol and J. Okuda

Formula: [Ti(C₂₀H₂₂O₂S₂)Cl₂], [Ti(C₁₈H₁₈O₂S₂)Cl₂] and [Ti(C₁₈H₁₈O₂S₂)Cl₂]·0.5C₇H₈

Online 24 October 2009

Acta Cryst. (2009). C65, m447-m450 [ doi:10.1107/S0108270109042127 ]

Di--oxido-bis{bis[N,N'-bis(2-pyridylmethyl)ethane-1,2-diamine]manganese(III,IV)} tris(perchlorate) hexahydrate: clarification of an order-disorder phase transition

A. Nielsen, C. J. McKenzie and A. D. Bond

Formula: [Mn₂O₂(C₁₄H₁₈N₄)₂](ClO₄)₃·6H₂O at 180 and 295 K

Online 24 October 2009

Acta Cryst. (2009). C65, m451-m454 [ doi:10.1107/S010827010903772X ]

Three isomorphous 2,6-dibromopyridinium tetrabromidometallates: (C₅H₄Br₂N)₂[MBr₄]·2H₂O (M = Cu, Cd and Hg)

R. H. Al-Far, S. F. Haddad and B. F. Ali

Formula: (C₅H₄Br₂N)₂[CuBr₄]·2H₂O, (C₅H₄Br₂N)₂[CdBr₄]·2H₂O and (C₅H₄Br₂N)₂[HgBr₄]·2H₂O

Online 28 October 2009

organic compounds

Acta Cryst. (2009). C65, o549-o552 [ doi:10.1107/S0108270109039018 ]

A hydrogen-bonded ribbon in 6-amino-3-methyl-5-nitroso-2-(pyrrolidin-1-yl)pyrimidin-4(3H)-one monohydrate and hydrogen-bonded sheets in 6-amino-2-dimethylamino-3-methyl-5-nitrosopyrimidin-4(3H)-one monohydrate

F. Orozco, B. Insuasty, J. Cobo and C. Glidewell

Formula: C₉H₁₃N₅O₂·H₂O and C₇H₁₁N₅O₂·H₂O

Online 7 October 2009

Acta Cryst. (2009). C65, o553-o554 [ doi:10.1107/S0108270109036440 ]

Cyclohexanecarboxamide

C. F. Zipp, M. A. Fernandes, J. P. Michael and S. Winks

Formula: C₇H₁₃NO

Online 7 October 2009

Acta Cryst. (2009). C65, o555-o557 [ doi:10.1107/S0108270109035835 ]

Hexane-1,6-diaminium chloride [hydrogen bis(chloroacetate)]

A. Paul and M. Kubicki

Formula: C₆H₁₈N₂²⁺·C₄H₅Cl₂O₄^-·Cl^-

Online 7 October 2009

Acta Cryst. (2009). C65, o558-o561 [ doi:10.1107/S0108270109038487 ]

Anomeric effect and hydrogen-bonded supramolecular motif in 5-(3-fluoro-4-methoxyphenyl)-1-[(3-fluoro-4-methoxyphenyl)aminomethyl]-1,3,5-triazinane-2-thione

Z. Zhang, J. Zhang, G. Zhang and J. Wang

Formula: C₁₈H₂₀F₂N₄O₂S

Online 7 October 2009

Acta Cryst. (2009). C65, o562-o564 [ doi:10.1107/S0108270109039833 ]

3,3,6,6,9,9-Hexaethyl-1,2,4,5,7,8-hexaoxacyclononane at 296 K

J. Cerna, S. Bernès, A. Cañizo and N. Eyler

Formula: C₁₅H₃₀O₆

Online 7 October 2009

Acta Cryst. (2009). C65, o565-o568 [ doi:10.1107/S0108270109038694 ]

5-Amino-1-naphthol: two-dimensional sheets built up from R₄⁴(18) rings formed by O-HN, N-HO and - interactions

E. Rozycka-Sokolowska and B. Marciniak

Formula: C₁₀H₉NO

Online 10 October 2009

Acta Cryst. (2009). C65, o569-o573 [ doi:10.1107/S0108270109040761 ]

1:1 Adducts of 2,2'-[isopropylidenebis(p-phenyleneoxy)]diacetic acid with dimethylammonium and 4,4'-bipyridine

Z.-B. Zheng, X. Zhao, J.-K. Li, Y.-F. Han and N.-N. Ji

Formula: C₂H₈N⁺·C₁₉H₁₉O₆^- and C₁₉H₂₀O₆·C₁₀H₈N₂

Online 10 October 2009

Acta Cryst. (2009). C65, o574-o578 [ doi:10.1107/S010827010903950X ]

New pseudopolymorphs of 5-fluorocytosine

M. Tutughamiarso, M. Bolte and E. Egert

Formula: C₄H₄FN₃O·C₂H₆OS, C₄H₄FN₃O·0.5C₄H₉NO and C₄H₄FN₃O·0.5H₂O

Online 10 October 2009

Acta Cryst. (2009). C65, o579-o582 [ doi:10.1107/S0108270109036646 ]

rac-5-Diphenylacetyl-2,2,4-trimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepine and rac-5-formyl-2,2,4-trimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepine

T. Kanagasabapathy, P. Krishnaswamy and J. Ramasubbu

Formula: C₂₆H₂₇NOS and C₁₃H₁₇NOS

Online 17 October 2009

Acta Cryst. (2009). C65, o583-o586 [ doi:10.1107/S0108270109040803 ]

Herringbone array of hydrogen-bonded ribbons in 2-ethoxybenzamide from high-resolution X-ray powder diffraction

S. Pagola and P. W. Stephens

Formula: C₉H₁₁NO₂

Online 17 October 2009

Acta Cryst. (2009). C65, o587-o592 [ doi:10.1107/S0108270109036749 ]

Crystal packing in the structures of diethanolamine derivatives

A. V. Churakov, E. K. Lermontova, K. V. Zaitsev, M. Huang, S. S. Karlov, G. S. Zaitseva and J. A. K. Howard

Formula: C₂₁H₂₇NO₂, C₁₇H₂₁NO₂, C₁₆H₂₇NO₂, C₁₆H₂₇NO₂, C₂₀H₂₇NO₂ and C₁₇H₂₁NO₂

Online 21 October 2009

Acta Crystallographica Section C

Crystal Structure Communications

Volume 65, Part 11 (November 2009)

inorganic compounds

Natural monoclinic AgPb(Bi2Sb)3S6, an Sb-rich gustavite

R. Pazout and M. Dusek

Sodium magnesium sulfate decahydrate, Na2Mg(SO4)2·10H2O, a new sulfate salt

E. M. S. Leduc, R. C. Peterson and R. Wang

A new polymorph of Cu3B2O6

N. V. Kuratieva, D. Mikhailova and H. Ehrenberg

metal-organic compounds

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

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

A benzene-rich pseudopolymorph of bis[-1,3-bis(pentafluorophenyl)propane-1,3-dionato]-3O,O':O';3O:O,O'-bis{aqua[1,3-bis(pentafluorophenyl)propane-1,3-dionato-2O,O']nickel(II)} benzene tetrasolvate

A. Hori and M. Mizutani

catena-Poly[bis[silver(I)-2-4,4'-bipyridine-2N:N'] naphthalene-2,6-dicarboxylate tetrahydrate]: self-assembly of a supramolecular framework via coordination bonds and supramolecular interactions

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

Trans influence in a mer-octahedral triiodidolanthanide: triiodidotris(tetrahydrofuran-O)ytterbium(III)

T. J. Emge, A. Kornienko and J. G. Brennan

Monohalogenated ferrocenes C5H5FeC5H4X (X = Cl, Br and I) and a second polymorph of C5H5FeC5H4I

A. S. Romanov, J. M. Mulroy, V. N. Khrustalev, M. Yu. Antipin and T. V. Timofeeva

Insight into the structures of [M(C5H4I)(CO)3] and [M2(C12H8)(CO)6] (M = Mn and Re) containing strong IO and (CO)-(CO) interactions

A. S. Romanov, J. M. Mulroy, M. Yu. Antipin and T. V. Timofeeva

Copper(II) succinate complexes with 1,2-di-4-pyridylethane and 1,3-di-4-pyridylpropane

M. J. González Garmendia, V. S. Nacianceno, J. M. Seco and F. J. Zúñiga

catena-Poly[silver(I)-2-4,4'-bipyridine-2N:N'-3-chlorido]: self-assembly of a two-dimensional bilayer silver(I) coordination polymer from AgCl and a bipodal spacer

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

Titanium complexes with sulfur-linked bis(phenolate) ligands

T. S. Dols, T. P. Spaniol and J. Okuda

Di--oxido-bis{bis[N,N'-bis(2-pyridylmethyl)ethane-1,2-diamine]manganese(III,IV)} tris(perchlorate) hexahydrate: clarification of an order-disorder phase transition

A. Nielsen, C. J. McKenzie and A. D. Bond

Three isomorphous 2,6-dibromopyridinium tetrabromidometallates: (C5H4Br2N)2[MBr4]·2H2O (M = Cu, Cd and Hg)

R. H. Al-Far, S. F. Haddad and B. F. Ali

organic compounds

A hydrogen-bonded ribbon in 6-amino-3-methyl-5-nitroso-2-(pyrrolidin-1-yl)pyrimidin-4(3H)-one monohydrate and hydrogen-bonded sheets in 6-amino-2-dimethylamino-3-methyl-5-nitrosopyrimidin-4(3H)-one monohydrate

F. Orozco, B. Insuasty, J. Cobo and C. Glidewell

Cyclohexanecarboxamide

C. F. Zipp, M. A. Fernandes, J. P. Michael and S. Winks

Hexane-1,6-diaminium chloride [hydrogen bis(chloroacetate)]

A. Paul and M. Kubicki

Anomeric effect and hydrogen-bonded supramolecular motif in 5-(3-fluoro-4-methoxyphenyl)-1-[(3-fluoro-4-methoxyphenyl)aminomethyl]-1,3,5-triazinane-2-thione

Z. Zhang, J. Zhang, G. Zhang and J. Wang

3,3,6,6,9,9-Hexaethyl-1,2,4,5,7,8-hexaoxacyclononane at 296 K

J. Cerna, S. Bernès, A. Cañizo and N. Eyler

5-Amino-1-naphthol: two-dimensional sheets built up from R44(18) rings formed by O-HN, N-HO and - interactions

E. Rozycka-Sokolowska and B. Marciniak

1:1 Adducts of 2,2'-[isopropylidenebis(p-phenyleneoxy)]diacetic acid with dimethylammonium and 4,4'-bipyridine

Z.-B. Zheng, X. Zhao, J.-K. Li, Y.-F. Han and N.-N. Ji

New pseudopolymorphs of 5-fluorocytosine

M. Tutughamiarso, M. Bolte and E. Egert

rac-5-Diphenylacetyl-2,2,4-trimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepine and rac-5-formyl-2,2,4-trimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepine

T. Kanagasabapathy, P. Krishnaswamy and J. Ramasubbu

Herringbone array of hydrogen-bonded ribbons in 2-ethoxybenzamide from high-resolution X-ray powder diffraction

S. Pagola and P. W. Stephens

Crystal packing in the structures of diethanolamine derivatives

A. V. Churakov, E. K. Lermontova, K. V. Zaitsev, M. Huang, S. S. Karlov, G. S. Zaitseva and J. A. K. Howard

Natural monoclinic AgPb(Bi₂Sb)₃S₆, an Sb-rich gustavite

Sodium magnesium sulfate decahydrate, Na₂Mg(SO₄)₂·10H₂O, a new sulfate salt

A new polymorph of Cu₃B₂O₆

A benzene-rich pseudopolymorph of bis[-1,3-bis(pentafluorophenyl)propane-1,3-dionato]-³O,O':O';³O:O,O'-bis{aqua[1,3-bis(pentafluorophenyl)propane-1,3-dionato-²O,O']nickel(II)} benzene tetrasolvate

catena-Poly[bis[silver(I)-₂-4,4'-bipyridine-²N:N'] naphthalene-2,6-dicarboxylate tetrahydrate]: self-assembly of a supramolecular framework via coordination bonds and supramolecular interactions

Monohalogenated ferrocenes C₅H₅FeC₅H₄X (X = Cl, Br and I) and a second polymorph of C₅H₅FeC₅H₄I

Insight into the structures of [M(C₅H₄I)(CO)₃] and [M₂(C₁₂H₈)(CO)₆] (M = Mn and Re) containing strong IO and (CO)-(CO) interactions

catena-Poly[silver(I)-₂-4,4'-bipyridine-²N:N'-₃-chlorido]: self-assembly of a two-dimensional bilayer silver(I) coordination polymer from AgCl and a bipodal spacer

Three isomorphous 2,6-dibromopyridinium tetrabromidometallates: (C₅H₄Br₂N)₂[MBr₄]·2H₂O (M = Cu, Cd and Hg)

5-Amino-1-naphthol: two-dimensional sheets built up from R₄⁴(18) rings formed by O-HN, N-HO and - interactions