issue contents

Journal logoIUCrDATA
ISSN: 2414-3146

March 2018 issue

Highlighted illustration

Cover illustration: In the di­acetyl­ene derivative, 5-[phen­yl(pyridin-4-yl)amino]­penta-2,4-diyn-1-ol, the mol­ecules form the supra­molecular dimers via hydrogen bonds between hy­droxy and pyridyl groups. The dimers stack along the a axis, but the compound shows little solid-state polymerization reactivity. See: Umezono & Okuno [IUCrData (2017). 3, x180454].

inorganic compounds


link to html
An (Al,Cu)13(Fe,Cu)4 phase was obtained by the high-pressure sinter­ing (HPS) process of a mixture with stoichiometry Al78Cu15Fe7. Structure analysis suggests that Cu atoms can replace both Al and Fe atoms.

metal-organic compounds


link to html
In the title compound, the central PtII atom is in an approximately square-planar configuration with the chloride ligands mutually trans. The crystal packing features N—H⋯O, C—H⋯Cl and C—H⋯O hydrogen bonds.

link to html
The crystal structure of Ni(HCOO)2·2H2O has been redetermined on the basis of modern single-crystal X-ray CCD data. The redetermination confirms the previous model based on powder X-ray data, but with higher precision and accuracy.

link to html
The crystal structure of a CoI hydride pincer complex with a distorted square-pyramidal coordination geometry is presented.

organic compounds


link to html
Both components of the title co-crystal are generated by crystallographic twofold symmetry. In the crystal, the components are linked by O—H⋯O hydrogen bonds to generate [010] chains of alternating 2,2′-di­thio­bis­(pyridine N-oxide) and hydrogen peroxide mol­ecules.


link to html
The monoclinic unit contains the acyclic keto tautomer of the amino­sugar, which is involved in an extensive hydrogen-bonding network.

link to html
The asymmetric unit of the title compound contains three independent mol­ecules differing primarily in the orientations of the benzyl groups. C—H⋯N, C—H⋯π(ring) and offset π-stacking inter­actions stabilize the crystal structure.

link to html
The title compound, was synthesized from methyl-2-meth­oxy benzoate. In the crystal, pairs of inter­molecular bifurcated N–H(H)⋯O hydrogen bonds link the mol­ecules to form inversion dimers, with R_{2}^{1}(6) ring motifs.

link to html
The asymmetric unit of the title compound consists of two independent mol­ecules, which are related to each other by a pseudo-inversion centre.

link to html
The asymmetric unit of the title compound contains two independent mol­ecules. In the crystal, C—H⋯O hydrogen bonds link the mol­ecules into chains along [100].

link to html
The dihedral angle between the triazole and thio­phene rings is 4.83 (14)° while those between the triazole and toluyl rings and between the thio­phene and phenyl rings are 48.42 (16) and 9.23 (13)°, respectively. An intra­molecular N—H⋯O hydrogen bond closes an S(6) loop. In the crystal, mol­ecules are stacked parallel to the a-axis direction with weak π–π inter­actions between adjacent thio­phenyl and triazolyl groups within the stack.

link to html
The asymmetric unit comprises one complete mol­ecule and a half mol­ecule completed by crystallographic twofold symmetry leading to Z = 12. In the crystal, neighbouring mol­ecules are linked by pairs of N—H⋯O hydrogen bonds to form independent columns propagating parallel to the c-axis direction.

link to html
All of the atoms except the C—H groups in the bromo­benene ring lie on a (010) crystallographic mirror plane, with the benzene ring completed by reflection. The dihedral angle between the ring systems is constrained to be 90° by symmetry. In the crystal, mol­ecules are linked by weak C—H⋯Br inter­actions in the [100] direction and paired very weak C—H⋯O inter­actions to the same acceptor in the [001] direction, generating (010) sheets.

link to html
The dihedral angle between the nitro group and the benzene ring is 3.68 (2)°, and an intra­molecular N—H⋯F hydrogen bond is observed. The crystal packing is consolidated by C—H⋯O and N—H⋯O hydrogen bonds; together, these generate [110] double chains.

link to html
The structure of [1,4-bis­(4-meth­oxy­phen­yl)but-3-yn-2-yl](cyano)­methyl­amine, a subsituted cyanamide, is reported.

link to html
In the title mol­ecular salt, one of the cations is doubly protonated and one is singly protonated with charge balance achieved by three sulfonate anions. The crystal structure features inter­ionic N—H⋯O and C—H⋯O hydrogen bonds.

link to html
In the title compound, the mol­ecules form the supra­molecular dimers via hydrogen bonds between hy­droxy and pyridyl groups.

link to html
The title compound contains two chiral carbon centres. Its crystal structure features N—H⋯O inter­molecular inter­actions, generating a three dimensional network structure.

link to html
The structure of the title compound with a triazolyl-pyrazolyl-phenyl ring system linked to a chloro­phen­yl–thia­zol­yl–di­hydro­pyrazol­yl–bromo­phenyl set of rings by a bond between the di­hydro­pyrazolyl and pyrazolyl rings is reported.


link to html
In the crystal, mol­ecules are linked by pairs of weak N—H⋯S hydrogen bonds, forming inversion dimers.

link to html
The dihedral angle between the selena­diazole and chloro­phenyl rings is 16.6 (2)°. In the crystal, π–π stacking inter­actions between the phenyl and selena­diazole rings are observed. There is also a short Se⋯Cl contact

link to html
In the title compound, the dihedral angle between the aryl rings is 6.22 (11)°. The mol­ecular structure is stabilized by an intra­molecular O—H⋯N hydrogen bond.

link to html
The crystal structure of the title mol­ecule consists of sheets of mol­ecules linked by N—H⋯O, C—H⋯O and C—H⋯H hydrogen bonds.

link to html
The mol­ecules of the title compound are connected through N—H⋯N and C—H⋯N hydrogen bonds and aromatic π–π stacking inter­actions.
Follow IUCr Journals
Sign up for e-alerts
Follow IUCr on Twitter
Follow us on facebook
Sign up for RSS feeds