issue contents

ISSN: 2052-5206

August 2018 issue

Highlighted illustration

Cover illustration: Hydrogen bonding in tetramers of Fe(acac)(dipic) connected by a single hydrogen bond, see S. C. Zacharias et al. [(2018). Acta Cryst. B74, 354-361].


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Identification of weak non-covalent interactions by crystallographic searches in databases such as the Cambridge Structural Database can be misleading, if they are based on an indiscriminate use of all kinds of data; this is also a common problem mining data. An alternative is the use of selected compounds as the database, for which chemistry provides many options.

research papers

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The crystal structure of jinshajiangite is revisited and corrected, with its pseudo-merohedral twinning and pseudosymmetry discussed in detail.

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Presented here are three novel crystal structures [FeC12H12NO7]·CH3CN, FeC12H10NO6 and [FeC12H10NO6]4 which were obtained using the same starting materials but with the reaction conditions of time and temperature varied.

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The twinned structure of the new uranium oxide mineral was refined from X-ray diffraction data and was found to contain fluorine and pentavalent uranium. The presence of pentavalent uranium is indicative of the reducing conditions under which the mineral formed. Nollmotzite is the first naturally occurring uranium oxide mineral that contains fluorine.

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A new intermetallic phase has been identified in the Mg–Al–La system with the composition of (Al,Mg)3La. The crystal structure of this phase [C2221, a = 4.3365 (1), b = 18.8674 (4) and c = 4.4242 (1) Å] has been resolved using high-resolution synchrotron X-ray powder diffraction and verified by high-angle annular dark-field scanning transmission electron microscopy imaging.

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The crystal structures of newly synthesized halogenated indoles bring out the essential similarity and differences in intermolecular interactions in the solid state. The roles of N—H⋯π and C—H⋯π interactions establish the key role of such interactions in modulating the crystal packing; their significance is established from both energetics from the PIXEL method and topological analysis of the electron density from quantum theory of atoms in molecules (QTAIM).

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HNIW/TNT cocrystals are synthesized by a new chemical method. The performance of the cocrystals is improved from previous preparation techniques and this new method is a more environmentally friendly approach.

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Symmetry relations between space groups for an arrangement before and after a transition in the thortveitite structure were used to build structural models for compositionally induced phase transitions.
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