issue contents

Journal logoIUCrDATA
ISSN: 2414-3146

February 2020 issue

Highlighted illustration

Cover illustration: The structure of hydro­nium bis­(tri­fluoro­methane­sulfon­yl)amide-18-crown-6 (1/1), [H3O+·C12H24O6][N(SO2CF3)2-], which is an ionic liquid with a melting point of 341-343 K, has been determined at 113 K. The asymmetric unit consists of two crystallographically independent 18-crown-6 mol­ecules, two hydro­nium ions and two bis­(tri­fluoro­methane­sulfon­yl)amide anions. One hydro­nium ion is complexed with an ordered 18-crown-6 mol­ecule with H2OH...OC distances of 1.90-2.19 Å, and the other hydro­nium ion with a disordered 18-crown-6 mol­ecule with distances of 1.85-2.36 Å. See: Kitada, Funasako, Matsumoto, Hagiwara, Inokuchi, Fukami & Murase [IUCrData (2020). 5, x20162].

inorganic compounds


link to html
The title compound, which formed twinned crystals, represents a highly hydrated carbonate with an unprecedented composition. Its unique crystal structure consists of a complex arrangement of anionic building units centred by octa­hedrally coordinated magnesium ions, caesium cations and free water mol­ecules.

organic compounds


link to html
In the title hemihydrate, the Schiff base mol­ecule adopts an E configuration about the C=N bond and is approximately planar, with a dihedral angle between the quinoline ring system and the 1,2,4-triazole ring of 12.2 (1)°. In the crystal, one water mol­ecule bridges two Schiff base mol­ecules via O—H⋯N hydrogen bonds.

link to html
The structure of the title compound, [H3O+·C12H24O6][N(SO2CF3)2], known as an ionic liquid (m.p. 341 −343 K), has been determined at 113 K. One hydro­nium ion is complexed with an ordered 18-crown-6 mol­ecule with H2OH⋯OC distances of 1.90–2.19 Å, and another hydro­nium ion with a disordered 18-crown-6 mol­ecule with distances of 1.85–2.36 Å.

link to html
In the title compound, C21H20BrNO4S, a key inter­mediate in the synthesis of the widely used β-lactamase inhibitor tazobactam, the five-membered thia­zolidine ring adopts an envelope conformation and the four-membered azetidine ring is in a distorted planar conformation.

link to html
The crystal structure of bis­pyrazolone, recrystallized from DMSO, indicates that the enamine tautomer is favored.

link to html
In the title compound, the two pyridine n-oxide moieties are tethered by a bis-thio­ether group.

link to html
The title compound crystallizes with a linear alkyl chain bound to the sulfur atom at the 2-position of the thia­zole ring.

link to html
The structure of a nitro-bis­(thio­phen-2-yl)quinoxaline has been determined at 298 K.

link to html
The structure of the title nitro­bis­(thio­phen-2-yl)quinoxaline has been determined at 298 K.

link to html
Two independent mol­ecules comprise the asymmetric unit of the title naphthalene derivative, which exhibit very similar conformations. The pendant 4-methyoxybenzene rings are splayed out of the plane through the naphthalene ring system.

link to html
In the mol­ecule of the title compound, the tricyclic core, consisting of a naphthalene entity fused together with a furan ring, deviates slightly from planarity.

link to html
In the extended structure of the title mol­ecular salt, the cations and anions are linked by N—H⋯O hydrogen bonds to generate [010] chains.

link to html
In the title compound, C11H14N2O4, the two 2-oxopropyl groups are nearly perpendicular to the planar thymine unit. One methyl group of the oxopropyl substituent is disordered. In the crystal, C—H⋯O inter­actions help to connect the mol­ecules into (001) layers.

link to html
The relative stereo- and regiochemistry of the title compound, C25H19O7N, were determined by the X-ray analysis.

addenda and errata


Follow IUCr Journals
Sign up for e-alerts
Follow IUCr on Twitter
Follow us on facebook
Sign up for RSS feeds