α-D-2′-De­oxy­adenosine, an irradiation product of canonical DNA and a com­ponent of anomeric nucleic acids: crystal structure, packing and Hirshfeld surface analysis

α-D-2′-De­oxy­adenosine, the anomer of the canonical nucleoside β-D-2′-de­oxy­adenosine, is a γ-irradiation product of DNA and a constituent of anomeric DNA. The single-crystal X-ray analysis reveals the formation of two conformers with unusual conformational parameters for α-nucleosides. Hydrogen-bonding and stacking inter­actions form a tightly packed supra­molecular assembly that was verified by Hirshfeld surface analysis.

Hydrogen-bonding inter­actions in 5-fluoro­cytosine–urea (2/1), 5-fluoro­cytosine–5-fluoro­cytosinium 3,5-di­nitro­salicylate–water (2/1/1) and 2-amino-4-chloro-6-methyl­pyrimidine–6-chloronicotinic acid (1/1)

The hydro­gen-bond inter­actions exhibited by three new com­pounds incorporating 5-fluoro­cytosine, urea, 3,5-di­nitro­salicylic acid, 2-amino-4-chloro-6-methyl­pyrimidine and 6-chloro­nicotinic acid generate a variety of supra­molecular assemblies in three-dimensional space as networks and ribbons. The mol­ecular recognition process, hydro­gen-bond motifs and supra­molecular assemblies will help in fine tuning properties for desired needs.

Using synchrotron high-resolution powder X-ray diffraction for the structure determination of a new cocrystal formed by two active principle ingredients

The crystal structure of a new 1:1 cocrystal of carbamazepine and S-naproxen was solved from powder X-ray diffraction. The powder pattern was measured at the high-resolution beamline CRISTAL at synchrotron SOLEIL (France). The positions of the H atoms were obtained from density functional theory (DFT) ground-state calculations.

(+)-Cedrol hemihydrate: a natural product derived from drying eastern red cedar (Juniperus virginiana) wood

A natural product derived from drying eastern red cedar (Juniperus virginiana) wood contains two (+)-cedrol mol­ecules (Z′ = 2) linked by water in a novel packing arrangement defined by a spiral hydrogen-bonded chain extending in one dimension.

High-pressure study of a 3d–4f heterometallic CuEu–organic skeleton

A 3d–4f heterometallic CuEu–organic framework, i.e. NBU-8, was prepared and a systematic high-pressure study was carried out by powder X-ray diffraction, high-pressure X-ray diffraction and mol­ecular dynamics simulations. It shows that this material is a dense packing material and can be used as a promising mol­ecular chemosensor for di­methyl­formamide (DMF).