forthcoming articles in Acta Crystallographica Section B

The following articles are a selection of those recently accepted for publication in Acta Crystallographica Section B: Structural Science.

See also Forthcoming articles in all IUCr journals.


Accepted 25 February 2015

Synthesis and structural elucidation of new complexes of 2,4- and 3,5-di­methyl di­phenyldi­thiophosphates with cobalt(II)

S. Kumar, R. Khajuria, A. K. Jassal, G. Hundal, M. S. Hundal and S. K. Pandey


Accepted 23 February 2015

Cocrystals of 6-chlorouracil and 6-chloro-3-methyluracil: exploring their hydrogen-bond-based synthon motifs with several triazine and pyrimidine derivatives

V. Gerhardt and E. Egert

Synopsis: Two chlorine-containing uracil derivatives have been cocrystallized with several triazine and pyrimidine derivatives. Six cocrystals and two (pseudo-)polymorphs were obtained with two-dimensional layers mainly promoted by hydrogen bonds.


Accepted 18 February 2015

Lack of a threefold rotation axis in [alpha]-Fe2O3 and [alpha]-Cr2O3 crystals

M. Stekiel, R. Przenioslo, I. Sosnowska, A. Fitch, J. Jasinski, J. Lussier and M. Bieringer

Synopsis: The symmetry of the magnetic ordering of [alpha]-Fe2O3 and [alpha]-Cr2O3 is found to be monoclinic and not trigonal, so the symmetry of their crystal structures should be also monoclinic. This conclusion is supported both by experimental X-ray powder diffraction studies as well as by theoretical arguments.


Accepted 16 February 2015

Structure of fluorite-like compound based on Nd5Mo3O16 with lead partly substituting for neodymium

A. M. Antipin, N. I. Sorokina, O. A. Alekseeva, A. N. Kuskova, E. P. Kharitonova, E. I. Orlova and V. I. Voronkova

Synopsis: A single crystal of the Nd5Mo3O16 structure type with lead partly substituting for neodymium was studied by precision X-ray diffraction and high-resolution transmission microscopy. Partial substitutions of Mo cations for the Nd position and of Nd for the Mo position in crystals of the Ln5Mo3O16 oxide family are corroborated by X-ray diffraction for the first time.


Accepted 16 February 2015

Phosphoramides bearing isoxazole derivative: spectroscopic and structural characterization, study of hydrogen-bonding interactions and two lanthanide complexes (LnIII = Ce and Eu)

K. Gholivand, F. Molaei and M. Hosseini

Synopsis: The synthesis, spectral and structural study of new phosphoramides containing isoxazole, and two lanthanide complexes are reported. Hydrogen bonding and metal-ligand interactions are studied theoretically.


Accepted 11 February 2015

Structure and stability of BaTiSi2O7

A. Viani, A. Palermo, S. Zanardi, N. Demitri, V. Petrícek, F. Varini, E. Belluso, K. Ståhl and A. F. Gualtieri

Synopsis: The crystal structure of BaTiSi2O7 (BTS2) has been solved from powder diffraction data. It shows the coexistence of monoclinic and triclinic domains within the same crystals. The confirmed presence of TiO5 pyramidal units, with one short Ti-O distance involving the apical oxygen, is in agreement with the theories on the photo-luminescent properties of this compound. Considerations on the stability of BTS2 justifies BaTiSi4O11 (BTS4) as an unavoidable contaminant during synthesis. The reflection list for BTS4 is reported.


Accepted 8 February 2015

A comprehensive classification and nomenclature of carboxyl-carboxyl(ate) supramolecular motifs and related catemers: implications for biomolecular systems

L. D'Ascenzo and P. Auffinger

Synopsis: The vast diversity of carboxyl-carboxyl(ate) arrangements is reduced to 17 supramolecular motifs and eight catemers. Examples of each, extracted from the CSD, are presented.


Accepted 30 January 2015

Predicting the lattice constants of the ternary pyrochlores A2B2O6O'

M. S. Nickolsky

Synopsis: Statistical models to predict lattice constants of ternary pyrochlores A2B2O6O' have been derived using multiple linear regression analysis.


Accepted 27 January 2015

Hydrogen bonding patterns in salts of derivatives of amino­pyrimidine and thiobarbituric acid

S. Gomathi, J. S. Nirmalram and P. T. Muthiah

Synopsis: Supramolecular interactions in three salts, namely 2-amino-4,6-dimethylpyrimidin-1-ium thiobarbiturate trihydrate (I), 2-amino-4,6-dimethoxypyrimidin-1-ium thiobarbiturate dihydrate (II) and 2,4-diamino-5-(3',4',5'-trimethoxybenzyl)pyrimidin-1-ium thiobarbiturate (III), were analysed. The formation of N-H...S hydrogen bonds, a water-mediated base pair and water-water interactions in these crystal systems offer scope for these systems to be considered as a model in the study of hydration of nucleobases and water-mediated nucleobase base pairs in macromolecules.


Accepted 19 January 2015

First experimental charge density study using a Bruker CMOS-type PHOTON 100 detector: the case of ammonium tetraoxalate dihydrate. Addendum

K. N. Jarzembska, R. Kaminski, L. Dobrzycki and M. K. Cyranski

Synopsis: Addendum to Jarzembska et al. [Acta Cryst. (2014), B70, 847-855].




































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