forthcoming articles

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

See also Forthcoming articles in all IUCr journals.

Accepted 7 August 2019

The shortest chalcogen⋯halogen contacts in molecular crystals

An analysis of chalcogen–halogen interactions based on the Cambridge Structural Database is presented.

Accepted 2 August 2019

Polymorphic forms of Bendamustine Hydro­chloride: crystal structure, thermal properties and stability at ambient conditions


Accepted 23 July 2019

Influence of ortho-substituent on the molecular and crystal structures of 2-(N-aryl­imino)­coumarin-3-carboxamide: isotypic and polymorphic structures

A series of substituted 2-(N-aryl­imino)­coumarin-3-carboxamides has been divides into three groups of isotypic crystal structures with different molecular structure and crystal organization.

Accepted 23 July 2019

Crystal structure and structural phase transition in bis­muth-containing HoFe3(BO3)4 in the temperature range 11 – 500 K

An accurate X-ray diffraction study of (Ho0.96Bi0.04)Fe3(BO3)4 single crystals in the temperature range 11–500 K has been performed on a laboratory diffractometer and using synchrotron radiation. A structural phase transition at about 365 K has been studied.

Accepted 22 July 2019

The effective volumes of waters of crystallization: non-ionic pharmaceutical systems

The effective volumes of waters of crystallization have been determined for 27 hydrate/parent systems, with a median value of 22.8 Å3. These results may be helpful in assessing and predicting hydrate crystal structures.

Accepted 22 July 2019

Pristine and hydrated fluoroapatite (0001)

The surface structure of fluoro­apatite (0001) under dry and humid conditions has been probed with X-ray diffraction. The dry surface shows incomplete tetrahedra on the surface that are partially filled when the surface is hydrated.

Accepted 13 July 2019

Lanthanide coordination polymers based on designed bifunctional 2-(2,2′:6′,2″-terpyridin-4′-yl)benzene­sulfonate ligand: syntheses, structural diversity and highly tunable emission

Seven novel lanthanide coordination polymers were prepared. These coordination polymers exhibit several 2D and 3D framework topologies that are dictated by the choice of metal salts and carboxyl­ate ligands. The hetero-nuclear compounds [EuxTb1−x(STP)(1,2-bdc)]n (0 ≤ x ≤ 1) have potential use as efficient luminescent taggants.

Accepted 29 June 2019

Analytical description of nanowires. I. Regular cross sections for zincblende and diamond structures

Regular cross sections of zincblende- and diamond-structured nanowires (NWires) are described, and number series are presented for NWire atoms, for the bonds between these and for the NWire interface bonds for a slab of unit-cell length along the NWire axis, as well as the characteristic lengths and areas of the NWire cross sections. The ratios of internal bonds per NWire atom, of internal to interface bonds and of interface bonds per NWire atom present fundamental tools to interpret any spectroscopic data which depend on the diameter and cross-sectional shape of NWires.

Accepted 28 June 2019

A commensurately modulated crystal structure and the physical properties of a novel polymorph of the caesium manganese phosphate CsMnPO4

A new modification of CsMnPO4 (β-phase) is discussed in a superspace approach. Structural relations with topologically and chemically similar compounds are shown.

Accepted 28 June 2019

Octahedral tilting in the polar hexagonal tungsten bronzes RbNbW2O9 and KNbW2O9

The first powder neutron diffraction study of the hexagonal tungsten bronzes RbNbW2O9 and KNbW2O9 is presented. The existence of octahedral tilting that has not been previously observed using X-ray diffraction is also reported.

Accepted 26 June 2019

Understanding the formation of apremilast cocrystals

In investigating the formation of apremilast cocrystals, this work demonstrates the preference for aromatic–aromatic interactions over hydrogen bonds in the studied crystals and the stabilizing role of disorder, leading to entropy-driven formation of the cocrystals.

Accepted 26 June 2019

Stimuli-responsive aggregation-induced fluorescence in a series of bi­phenyl-based Knoevenagel products: effects of substituent active methyl­ene groups on π–π interactions

A photophysical study involving three bi­phenyl-based Knoevenagel products has been carried out. Two of the compounds show stimuli-responsive aggregation-enhanced emission. Photophysical behavior of the active fluoro­phore is explained based on molecular packing and π–π interactions.

Accepted 25 June 2019

The Na—O bond in sodium fenamate

The polymeric structure of sodium di­aqua­fenamate–water (1/1) was investigated and the theoretical analysis revealed that the Na—O bonds are very weak, comparable with the weak N—H⋯O intramolecular hydrogen bond. The polymeric structure is stabilized by the interaction of the sodium cation with the surrounding water molecules.

Accepted 14 June 2019

Rb2CaCu6(PO4)4O2, a novel oxophosphate with a shchurovskyite-type topology: synthesis, structure, magnetic properties and crystal chemistry of rubidium copper phosphates

A novel compound, Rb2CaCu6(PO4)4O2, was synthesized by a hydrothermal method and characterized as the shchurovskyite-type structure, based upon a heteropolyhedral copper phosphate framework. Microscopic calculations are indicative of possible low-dimensional magnetic behavior, as they confirm weak magnetic coupling between the copper-based layers mediated by the Cu–Cu pairs.

Accepted 15 May 2019

Solvatochromism and mechanochromism observed in a tri­phenyl­amine derivative

Multi-fluorescent properties of a tri­phenyl­amine derivative are investigated under different conditions.


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