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.

The importance of screening solid-state phases of a racemic modification of a chiral drug: thermodynamic and structural characterization of solid-state phases of etiracetam

C. Herman, V. Vermylen, B. Norberg, J. Wouters and T. Leyssens

Synopsis: In this contribution different solid-state forms of the racemic compound (RS)-2-(2-oxo-pyrrolidin-1yl)-butyramide are studied from a structural and thermal point of view and compared to the enantiopure compound.

Role of chloroform and dichloromethane solvent molecules in crystal packing: an interaction propensity study

F. H. Allen, P. A. Wood and P. T. A. Galek

Synopsis: Analysis of 770 structures containing chloroform and 919 structures containing dichloromethane shows that around 80% of both molecules use their acidic C-H protons in hydrogen-bond formation in crystal structures, but their Cl atoms would appear to make only a limited contribution to crystal aggregation.

Modulated structure of Lu₄AlCu₂B₉O₂₃ from low-temperature single-crystal X-ray data

N. Bolotina, P. Plachinda and E. Belokoneva

Synopsis: The origins and features of incommensurate structural modulation are discovered in a single crystal of Lu₄AlCu₂B₉O₂₃ on cooling down to 110 K.

Influence of supramolecular structures in crystals on parallel stacking interactions between pyridine molecules

G. V. Janjic, D. B. Ninkovic and S. D. Zaric

Synopsis: Parallel stacking interactions between pyridine molecules in crystal structures and the influence of supramolecular structures in crystals on the geometry of interactions were studied by analyzing data in the Cambridge Structural Database (CSD).

Methylthioureas and their morpholine and dioxane adducts; hydrogen-bonding patterns

P. G. Jones, C. Taouss, N. Teschmit and L. Thomas

Synopsis: The structures of three methyl-substituted thioureas and three related adducts with morpholine or 1,4-dioxane are presented and their hydrogen-bonding patterns discussed.

Decafluorocyclohex-1-ene at 4.2 K - crystal structure and theoretical analysis of weak interactions

L. Smrcok, P. Mach and A. Le Bail

Synopsis: The crystal structure of the title compound was solved from neutron powder diffraction data and refined by energy minimization in the solid state. Weak intermolecular interactions were analysed by theoretical molecular calculations.

An alternative approach to rationalizing the structures of the cyclotrisilicates: Rb₁₀[Si₆O₁₇], Cs₈[Si₆O₁₆] and Na₃Y[Si₆O₁₅] by viewing them in light of the extended Zintl-Klemm concept

Á. Vegas

Synopsis: The extended Zintl-Klemm concept accounts for the structures of the three dimeric cyclotrisilicate anions [Si₆O₁₇]^10-, [Si₆O₁₆]^8- and [Si₆O₁₅]^6- as Zintl polyanions of composition [-S₄P₂]^10-, [-S₂P₄]^8- and [-P₆]^6-, respectively.

Proton ordering in (NH₄)₃H(SO₄)₂ at low-temperature phase transitions

Y. J. Sohn, K. M. Sparta, S. Prinz, M. Meven, G. Roth and G. Heger

Synopsis: The proton ordering plays an important role in the structural phase transitions of (NH₄)₃H(SO₄)₂ at low temperature. Crystal structure analysis using neutron diffraction reveals a sequential ordering of the ammonium groups and of the proton in the (SO₄)H(SO₄) dimer with decreasing temperature, related to the different phase transitions.

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