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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.
research papersresearch papersresearch papersInfluence 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.
research papersCrystal 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.
research papersThe 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.
research papersresearch papersLanthanide 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.
research papersAnalytical 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.
research papersA 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.
research papersOctahedral 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.
research papersUnderstanding 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.
research papersStimuli-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.
research papersThe 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.
research papersRb2CaCu6(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.
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