issue contents

Journal logoIUCrDATA
ISSN: 2414-3146

August 2016 issue

Highlighted illustration

Cover illustration: The C2P2 donor set in (biphenyl-2,2-di­yl)[bis­(di­phenyl­phosphan­yl)propane)­platinum(II) defines a distorted planar coordination environment about the PtII atom with small deviations from planarity. The bidentate nature of the biphenyl dianionic ligand results in a C-Pt-C bond angle of 79.94 (16)° and a P-Pt-P bond angle of 93.40 (4)°. The single-crystal structure is compared to that with a methyl group bridging two diphenyl phosphine donor groups and to another lacking a C-C bond between two coordinating phenyl groups. See: Rillema, Moor & Gehan [IUCrData (2016). 1, x161277].

metal-organic compounds


link to html
In the crystal structure of the title compound, the iron(II) cations are sixfold coordinated by two methanol mol­ecules and four N atoms of two bis­(pyrazol­yl)borate dianions, forming slightly distorted octa­hedral discrete complexes.

link to html
In the title compound, the tetra­chlorido­zincate ion, [ZnCl4]2−, presents a geometry close to tetra­hedral, unlike the [CuCl4]2− anion in the isostructural compound previously reported.

link to html
The single-crystal structure of (biphenyl-2,2-di­yl)[bis­(di­phenyl­phosphan­yl)propane)­platinum(II) is compared to that with a methyl group bridging two diphenyl phosphine donor groups and to another lacking a C—C bond between two coordinating phenyl groups.

link to html
The title mol­ecular salt consists of a tetra­hedral tetra­bromido­zincate dianion and two tri­ethyl­ammonium cations linked by N—H⋯Br hydrogen bonds.

link to html
A K+ cation is coordinated to a monoanionic 2,6-bis­(tri­methyl­silyl­amino)­pyridine and an 18-crown-6 macrocycle. The complex forms a monomer unlike other related complexes of potassium with similar tri­alkyl­silyl­pyridine ligands and crown ethers.

link to html
The synthesis and crystal structure of a centrosymmetric CoII complex with a triazole-based ligand are reported.

organic compounds


link to html
In 6-methyl-7H-1,2,4-triazolo[4,3-b][1,2,4]triazepin-8(9H)-thione, the triazepine ring displays a boat conformation. In the crystal, mol­ecules are linked into centrosymmetric dimers by N—H⋯N hydrogen bonds.

link to html
The cations are protonated at the pyridine N atoms. The cations and anions are linked by weak N—H⋯O, C—H⋯O hydrogen bonds and π–π inter­actions. In the crystal, N—H⋯O hydrogen bonds link the anions and cations into a two-dimensional network parallel to (10\overline{1}).

link to html
The title triazepine derivative features a seven-membered ring having a boat conformation, while the fused five-membered ring is almost planar.

link to html
In 4-bromo-N-(4-fluoro­phen­yl)benzene­sulfonamide, the dihedral angle between the planes of the two aromatic rings is 41.17 (19)°. In the crystal, N—H⋯O(S) hydrogen bonds between the mol­ecules form infinite one-dimensional C(4) chains along [001]. These chains are inter­connected via short F⋯F contacts [F⋯F = 2.868 (4) Å], forming a one-dimensional ribbon-like architecture.

link to html
Adamantane compounds have received considerable inter­est from the pharmacological community owning to their anti­viral activity. N-(Pyrazin-2-yl)adamantane-1-carboxamide is composed of an adamantine unit and a pyrazine ring connected to each other through the amide bond. In the crystal, mol­ecules are arranged in a herringbone fashion.

link to html
In the title compound, the sulfanyl­idene­thia­zolidine ring and the benzyl­idene ring are almost coplanar, making a dihedral angle of 0.1 (2)° while the mean plane through the allyl group subtends a dihedral angle of 69.5 (5)° with the sulfanyl­idene­thia­zolidine ring.

link to html
In the title nitro­pyridine derivative, the dihedral angle between the benzene and pyridine rings is 65.90 (7)°. In the crystal, mol­ecules are linked by O—H⋯O hydrogen bonds, forming chains propagating along [10\overline{1}].

link to html
The title compound is primarily a hydrazone formed by the reaction of a precursor hydrazide with pyridine-2-aldehyde. However, it rearranges to a diazo derivative by a 1,3 proton shift. The mol­ecule has an E conformation about the N=N bond and a Z conformation about the C=C bond.

link to html
Crystals of 1,1′-biphenyl-2,2′,5,5′-tetra­carb­oxy­lic acid (H4bptc) were obtained under hydro­thermal conditions. The mol­ecules are connected through inter­molecular hydrogen bonds, leading to the formation of a two-dimensional supra­molecular network.

link to html
The iso­quinoline moiety is oriented at an angle of 12.0 (2)° with respect to the chloro­butanamide moiety. In the crystal, mol­ecules are linked via N—H⋯N and C—H⋯O hydrogen bonds which form R_{2}^{2}(8) and R_{2}^{2}(16) graph-set dimers.

link to html
The crystal structure of the salt 2-amino-4-methyl­pyridinium 2-(4-nitro­phen­yl)acetate features N—H⋯O hydrogen bonds, C—H⋯O contacts and C—H⋯π and π–π inter­actions.

link to html
The mol­ecules of tetra­kis­(di­meth­oxy­bor­yl)methane, which reside on sites of crystallographic twofold symmetry, have idealized \overline{4} point symmetry like most other CX4 mol­ecules in which each X group bears two non-H substituents at the 1-position.

link to html
The dihedral angle between the acetohydrazide moiety and the thia­zole ring is 80.96 (8)°. In the crystal, mol­ecules are linked by N—H⋯O and N—H⋯N hydrogen bonds generating (010) sheets.

link to html
The title chalcone derivative was obtained by a Claisen–Schimdt condensation in basic solution of ethanol–water between 2,5-di­fluoro­benzaldehyde and aceto­phenone. The structure is almost planar, with the dihedral angle between the planes of the benzene and phenyl rings being 7.45 (9)°.

link to html
The P atom in tris­(4-meth­oxy­phen­yl)phosphine selenide is in a distorted tetra­hedral environment. The torsion angles of the phenyl rings relative to the P=Se bond are 35.62 (10), 35.07 (13), and 44.50 (11)°.

link to html
The cation is protonated at the pyridine N atom; in the crystal [010] chains linked by N—H⋯O hydrogen bonds occur.

link to html
1,2,3,5-Tetra­methyl­pyrazolium triiodide was obtained unintentionally by methyl­ation of 3,6-bis­(3,5-di­methyl­pyrazol-1-yl)-1,2,4,5-tetra­zine and subsequent fragmentation. The pyrazolium ring is almost planar and the triiodide anion deviates slightly from linearity.

link to html
In the title pheno­thia­zine derivative, the dihedral angle between the two outer aromatic rings of the pheno­thia­zine unit is 39.53 (10)°. π–π inter­actions are observed between the aromatic rings of neighbouring mol­ecules.

link to html
In the title compound, the dihedral angle between the pyridine and benzene rings is 2.52 (9)°. In the crystal, O—H⋯O, O—H⋯N, N—H⋯O and C—H⋯O hydrogen bonds link the components into a three-dimensional network.

link to html
The complete mol­ecule of N,N′-bis­(pyridin-2-yl)octa­nedi­amide is generated by crystallographic inversion symmetry. In the crystal, N—H⋯N hydrogen bonds connect the mol­ecules into [010] chains, which feature R_{2}^{2}(8) loops. The packing is consolidated by C—H⋯O inter­actions.

link to html
Allyl 3,4,6-tri-O-acetyl-2-de­oxy-2-phthalimido-β-D-gluco­pyran­oside, a useful inter­mediate in oligosaccharide synthesis, was prepared and analyzed by X-ray crystallography, confirming the β-anomeric configuration and showing an approximately orthogonal orientation of the phthalimido group with respect to the pyran­ose ring.

link to html
In the title compound, the dihedral angles between the pyrazole ring and its phenyl, aniline and benzo­furan substituents are 47.64 (8), 4.00 (8) and 29.12 (7)°, respectively. In the crystal, aromatic π–π stacking between the pyrazole rings generates inversion dimers.
Follow IUCr Journals
Sign up for e-alerts
Follow IUCr on Twitter
Follow us on facebook
Sign up for RSS feeds