Acta Crystallographica Section C

Structural Chemistry

Volume 70, Part 1 (January 2014)



[Issue Author Index][Volume Author Index]
[Cover illustration] Cover illustration: Deformation density contours for 6,7-di­nitro-1,3[lambda]4[delta]2,5,2,4-tri­thia­diazepine, drawn in the mean plane of the ring at inter­vals of 0.05 e Å-3 (negative contours are shown as broken lines). Colour shading indicates whether the calculated difference electron density is positive (green) or negative (brown). See Jones [Acta Cryst. (2014), C70, 60-66].

editorial


contents scheme thumbnail

[HTML version][PDF version][Scheme]  [Open access]

Acta Cryst. (2014). C70, 1  [ doi:10.1107/S2053229613034025 ]

Acta Crystallographica Section C in 2014

A. Linden

Synopsis: Editorial

Online 25 December 2013


inorganic compounds


contents scheme thumbnail

[HTML version][PDF version][CIF][3d view][Structure Factors][Scheme]  [Buy article online]

Acta Cryst. (2014). C70, 2-6  [ doi:10.1107/S2053229613029604 ]

The series RE5Li2Sn7 (RE = Ce, Pr, Nd, Sm) revisited: crystal structure of RE5Li2-xSn7+x [0 [less-than or equal to] x [less-than or equal to] 0.03 (1)]

J. P. A. Makongo and S. Bobev

Synopsis: Polar inter­metallic phases with complex structures are reported in the RE-Li-Sn system (RE = Ce, Pr, Nd, Sm). They crystallize in the chiral ortho­rhom­bic space group P212121 (No. 19), which is relatively uncommon among inter­metallic phases.

Formula: Ce5Li1.97Sn7.03, Pr5Li1.98Sn7.02, Nd5Li1.99Sn7.01 and Sm5Li2Sn7

Online 7 December 2013


contents scheme thumbnail

[HTML version][PDF version][CIF][3d view][Structure Factors][Scheme]  [Buy article online]

Acta Cryst. (2014). C70, 7-11  [ doi:10.1107/S205322961303338X ]

The isotypic hydrogen phosphate and arsenate dihydrates M2HXO4·2H2O (M = Rb, Cs; X = P, As)

B. Stöger and M. Weil

Synopsis: The four isotypic arsenate(V) and phosphate(V) dihydrates M2HXO4·2H2O (M = Rb, Cs; X = P, As) crystallize in the space group P21/c. A hypothetical proton-disordered C2/c structure is discussed.

Formula: Cs2HAsO4·2H2O and three related structures

Online 21 December 2013


metal-organic compounds


contents scheme thumbnail

[HTML version][PDF version][CIF][3d view][Structure Factors][Scheme]  [Buy article online]

Acta Cryst. (2014). C70, 12-15  [ doi:10.1107/S205322961303088X ]

A new heteroleptic oxalate-based compound: poly[[2-(amino­meth­yl)pyridine]di-[mu]6-oxalato-chromium(III)potassium(I)]

P. Kenfack Tsobnang, E. Wenger, S. Ponou, S. Dahaoui, J. Lambi Ngolui and C. Lecomte

Synopsis: This study reports the structure of a new heteroleptic oxalate-based compound obtained with the 2-picolyl­amine ligand. It is built-up by bimetallic oxalate-bridged CrIII-K helical chains which are linked through centrosymmetric K2O2 units.

Formula: [KCr(C2O2)2(C6H8N2)]

Online 7 December 2013


contents scheme thumbnail

[HTML version][PDF version][CIF][3d view][Structure Factors][Scheme]  [Buy article online]

Acta Cryst. (2014). C70, 16-18  [ doi:10.1107/S2053229613032531 ]

A one-dimensional coordination polymer formed from the reaction of 1,1-diphenyl-3,3'-[(1R,2R)-cyclo­hexane-1,2-diylbis(aza­nedi­yl)]dibut-2-en-1-one with MnCl2·4H2O

Q.-L. Zhang and L.-T. Pan

Synopsis: A one-dimensional chiral helical coordination polymer was synthesized from the rigid chiral bidentate Schiff base ligand 1,1-diphenyl-3,3'-[(1R,2R)-cyclo­hexane-1,2-diylbis(aza­nedi­yl)]dibut-2-en-1-one with MnII. The structure displays intra­molecular ionic N+-H...O- hydrogen bonding and [pi]-[pi] inter­actions between pairs of phenyl rings which strengthen the chains.

Formula: [MnCl2(C26H30N2)]

Online 7 December 2013


contents scheme thumbnail

[HTML version][PDF version][CIF][3d view][Structure Factors][Scheme]  [Buy article online]

Acta Cryst. (2014). C70, 19-22  [ doi:10.1107/S2053229613032804 ]

Poly[[chlorido­(1,10-phenanthroline-[kappa]2N,N')copper(II)]-[mu]3-1,1,3,3-tetra­cyano-2-eth­oxy­propenido-[kappa]3N:N':N'']: coordination polymer sheets linked into bilayers by hydrogen bonds

Z. Setifi, F. Setifi, L. El Ammari, M. El-Ghozzi, J. Sopková-de Oliveira Santos, H. Merazig and C. Glidewell

Synopsis: In the title complex, the (4 + 2) coordination polyhedron around the CuII centre includes N atoms from three different 1,1,3,3-tetra­cyano-2-eth­oxy­propenide ligands, so forming a two-dimensional coordination polymer.

Formula: [Cu(C9H5N4O)Cl(C12H8N2)]

Online 14 December 2013


contents scheme thumbnail

[HTML version][PDF version][CIF][3d view][Structure Factors][Supplementary Material][Scheme]  [Buy article online]

Acta Cryst. (2014). C70, 23-27  [ doi:10.1107/S2053229613032828 ]

A trinuclear palladium(II) complex containing N,S-coordinating 2-(benzyl­sulfanyl)anilinide and 1,3-benzo­thia­zole-2-thiol­ate ligands with a central square-planar PdN4 motif

E. D. Cross, K. L. MacDonald, R. McDonald and M. Bierenstiel

Synopsis: A linear trinuclear Pd3 complex containing N,S-coordinating 2-(benzyl­sulfanyl)anilinide and 1,3-benzo­thia­zole-2-thiol­ate ligands has \overline{1} symmetry and a Pd...Pd separation of 3.2012 (4) Å. All three PdII atoms have a square-planar geometry, while the central PdII core shows an all N-coordination. 1,3-Benzothiazole-2-thiolate was formed in situ from 2-(benzyl­sulfanyl)aniline.

Formula: [Pd3(C7H4NS2)2(C13H12NS)2Cl2]·2C3H7NO

Online 14 December 2013


contents scheme thumbnail

[HTML version][PDF version][CIF][3d view][Structure Factors][Scheme]  [Buy article online]

Acta Cryst. (2014). C70, 28-30  [ doi:10.1107/S2053229613033305 ]

A fivefold inter­penetrating diamond­oid three-dimensional metal-organic framework constructed from benzene-1,4-di­acetic acid and flexible triazole derivatives: poly[[([mu]2-benzene-1,4-di­acetato-[kappa]2O:O){[mu]2-1,4-bis­[(1H-1,2,4-triazol-1-yl)methyl]benzene-[kappa]2N4:N4'}zinc(II)] monohydrate]

H. Shen

Synopsis: The title compound has a fivefold inter­penetrating diamondoid three-dimensional metal-organic framework, with each ZnII centre surrounded by two O-donor atoms from monodentate carboxyl­ate groups belonging to two different benzene-1,4-di­acetate ligands and by two triazole N-donor atoms from two different 1,4-bis­[(1H-1,2,4-triazol-1-yl)methyl]benzene ligands.

Formula: [Zn(C10H8O4)(C12H14N6)]·H2O

Online 14 December 2013


contents scheme thumbnail

[HTML version][PDF version][CIF][3d view][Structure Factors][Scheme]  [Buy article online]

Acta Cryst. (2014). C70, 31-36  [ doi:10.1107/S2053229613031719 ]

`0'- and `8'-shaped complexes generated from a nano-sized oxa­diazole-containing organic ligand with CdI2 and CuI

Z.-C. Liu, Q.-K. Liu, Y.-A. Li, J.-P. Ma and Y.-B. Dong

Synopsis: The new nano-sized rigid double-armed oxa­diazole-bridged ligand 2,5-bis­{2-methyl-5-[2-(pyridin-3-yl)ethen­yl]phen­yl}-1,3,4-oxa­diazole has been used to create two novel metallocyclic complexes with one adopting a 20-membered `0'-shaped metallocyclic structure and the second adopting a discrete `8'-shaped metallocyclic structure.

Formula: C30H20N4O, [CdI2(C30H20N4O)]·CH2Cl2 and [Cu2I2(C30H20N4O)2]

Online 14 December 2013


contents scheme thumbnail

[HTML version][PDF version][CIF][3d view][Structure Factors][Scheme]  [Buy article online]

Acta Cryst. (2014). C70, 37-42  [ doi:10.1107/S2053229613031598 ]

Three one-dimensional coordination polymers based on 1,1'-bis­(pyridin-4-ylmeth­yl)-2,2'-bi-1H-benzimidazole and HgX2 (X = Cl, Br and I)

A.-G. Li, Q.-K. Liu, Y.-A. Li, Z.-X. Liu and Y.-B. Dong

Synopsis: The new ligand 1,1'-bis­(pyridin-4-ylmeth­yl)-2,2'-bi-1H-benzimidazole has been combined with HgX2 (X = Cl, Br and I) to create three one-dimensional coordination polymers. The three complexes have one-dimensional zigzag chains and the HgII centres are in a distorted tetra­hedral [HgX2N2] geometry in each case.

Formula: C26H20N6, [HgCl2(C26H20N6)], [HgBr2(C26H20N6)] and [HgI2(C26H20N6)]

Online 14 December 2013


organic compounds


contents scheme thumbnail

[HTML version][PDF version][CIF][3d view][Structure Factors][Supplementary Material][Scheme]  [Buy article online]

Acta Cryst. (2014). C70, 43-45  [ doi:10.1107/S2053229613032737 ]

A supra­molecular ladder-like network from trimesic acid and pyrazine N,N'-dioxide

V. N. Yadav and C. H. Görbitz

Synopsis: Cocrystallized trimesic acid (TMA) and pyrazine N,N'-dioxide (PNO) mol­ecules form strong O-H...O hydrogen bonds, but also important weak C-H...O and dipole-dipole inter­molecular inter­actions, to generate a densely packed three-dimensional network.

Formula: C9H6O6·0.5C4H4N2O2

Online 7 December 2013


contents scheme thumbnail

[HTML version][PDF version][CIF][3d view][Structure Factors][Scheme]  [Buy article online]

Acta Cryst. (2014). C70, 46-49  [ doi:10.1107/S2053229613033044 ]

Conformation of a terminally protected [beta][gamma] hybrid dipeptide Boc-Ant-Gpn-OMe stabilized by C6/C7 hydrogen bonds

N. A. Wani, V. K. Gupta, R. Kant, S. Aravinda and R. Rai

Synopsis: A hybrid [beta][gamma] dipeptide, Boc-Ant-Gpn-OMe, adopts a folded conformation stabilized by intra­molecular six- (C6) and seven-membered (C7) hydrogen bonds, together with weak C-H...O and C-H...[pi] inter­actions, resulting in a ribbon-like structure.

Formula: C22H32N2O5

Online 14 December 2013


contents scheme thumbnail

[HTML version][PDF version][CIF][3d view][Structure Factors][Scheme]  [Buy article online]

Acta Cryst. (2014). C70, 50-54  [ doi:10.1107/S2053229613032956 ]

(5RS)-5-(4-Meth­oxy­phen­yl)-2-(methyl­sulfan­yl)benzo[g]pyrimido[4,5-b]quinoline-4,6,11(3H,5H,12H)-trione, with Z' = 3, forms a three-dimensional hydrogen-bonded framework con­taining five types of hydrogen bond

Y. A. Castillo, L. F. Zapata, J. Trilleras, J. Cobo and C. Glidewell

Synopsis: Five types of hydrogen bond link three independent mol­ecules into a three-dimensional framework structure.

Formula: C23H17N3O4S

Online 14 December 2013


contents scheme thumbnail

[HTML version][PDF version][CIF][3d view][Structure Factors][Scheme]  [Buy article online]

Acta Cryst. (2014). C70, 55-59  [ doi:10.1107/S2053229613033329 ]

[pi]-stacking and C-X...D (X = H, NO2; D = O, [pi]) inter­actions in the crystal network of both C-H...N and [pi]-stacked dimers of 1,2-bis­(4-bromo­phenyl)-1H-benzimidazole and 2-(4-bromo­phenyl)-1-(4-nitro­phenyl)-1H-benzimidazole

J. E. González-Padilla, M. C. Rosales-Hernández, I. I. Padilla-Martínez, E. V. García-Báez, S. Rojas-Lima and V. Salazar-Pereda

Synopsis: Mol­ecules of two substituted 1H-benzimidazoles are arranged in dimeric units through C-H...N and parallel-displaced [pi]-stacking inter­actions. The mol­ecular packing of the dimers arises by the concurrence of a diverse set of weak inter­molecular C-X...D (X = H, NO2; D = O, [pi]) inter­actions.

Formula: C19H12Br2N2 and C19H12BrN3O2

Online 21 December 2013


contents scheme thumbnail

[HTML version][PDF version][CIF][3d view][Structure Factors][Supplementary Material][Scheme]  [Buy article online]

Acta Cryst. (2014). C70, 60-66  [ doi:10.1107/S2053229613033287 ]

Three tri­thia­diazepines and a tri­thia­triazepine

R. Jones

Synopsis: The most precise determinations to date for the 1,3,5,2,4-tri­thia­diazepine and 1,3,5,2,4,6-tri­thia­triazepine ring systems are presented, including deformation density maps consistent with the expected bonding electron density.

Formula: C2HN3O2S3, C2N4O4S3, C4N4S3 and C3H3N3OS3

Online 21 December 2013


contents scheme thumbnail

[HTML version][PDF version][CIF][3d view][Structure Factors][Supplementary Material][Scheme]  [Buy article online]

Acta Cryst. (2014). C70, 67-74  [ doi:10.1107/S2053229613033172 ]

Tetra- and hexa­hydrates of bis­(aden­inium) zoledronate

B. Sridhar, K. Ravikumar and B. Varghese

Synopsis: In two hydrated structures of bis­(adeninium) zoledronate, the zoledronate anion displays its usual zwitterionic character, with a protonated imidazole ring; however, the ionization state of the phospho­nate groups of the anions are different.

Formula: 2C5H6N5+·C5H8N2O7P22-·4H2O and 2C5H6N5+·C5H8N2O7P22-·6H2O

Online 21 December 2013


addenda and errata


 

[HTML version][PDF version]  [Open access]

Acta Cryst. (2014). C70, 75  [ doi:10.1107/S2053229613033676 ]

The coordination chemistry of two symmetric fluorene-based organic ligands with cuprous chloride. Corrigendum

Y.-F. Liu, C.-W. Zhao, J.-P. Ma, Q.-K. Liu and Y.-B. Dong

Synopsis: Corrigendum to Acta Cryst. (2013), C69, 1488-1493.

Formula: C21H18N4, [Cu2Cl2(C21H18N4)] and [Cu2Cl2(C25H26N4)]

Online 25 December 2013


Copyright © International Union of Crystallography
IUCr Webmaster