Scientific article
OA Policy
English

X-ray structure and crystal packing analysis of triphenylbromomethane, C19H15Br

Published inActa crystallographica. Section B, Structural science, vol. 40, no. 1, p. 59-64
Publication date1984-02-01
Abstract

Mr = 323•2, trigonal, P3, α = 13•933(3), c = 13•438(4) Å, V = 2266•7 Å3, Z = 6, Dm = 1•42, Dx = 1•421 Mg m-3, λ(Mo ) = 0•71069 Å, μ = 2•866 mm-1, F(000) = 984, room temperature, final R = 0•049 for 976 observed reflections. The molecules lie in special positions on the crystallographic threefold axes. They are associated in pairs and form two distinct Ph3C-Br • • • Br-CPh3 head-to-head arrangements characterized by long C-Br bonds and short Br • • • Br contacts. The shortest Br • • • Br distance (3•203 Å) is about 0•5 Å smaller than the sum of the van der Waals radii. The lattice energy was computed using two different sets of published Buckingham potential functions. These calculations account satisfactorily for all the salient features of the crystal packing. Analysis of the thermal motion showed that the rigid-body approximation holds reasonably well for the triphenylbromomethane molecule.

Citation (ISO format)
DUNAND, Albert, GERDIL, Raymond. X-ray structure and crystal packing analysis of triphenylbromomethane, C19H15Br. In: Acta crystallographica. Section B, Structural science, 1984, vol. 40, n° 1, p. 59–64. doi: 10.1107/S0108768184001749
Main files (1)
Article (Published version)
accessLevelPublic
Identifiers
Journal ISSN0108-7681
88views
152downloads

Technical informations

Creation28/03/2023 10:29:50
First validation28/03/2023 10:47:37
Update time28/03/2023 10:47:37
Status update28/03/2023 10:47:37
Last indexation01/11/2024 04:37:04
All rights reserved by Archive ouverte UNIGE and the University of GenevaunigeBlack