In:
Acta Crystallographica Section E Crystallographic Communications, International Union of Crystallography (IUCr), Vol. 74, No. 10 ( 2018-10-01), p. 1500-1503
Abstract:
The title Schiff base compound, C 15 H 13 BrN 2 O 2 , displays an E configuration with respect to the C=N double bond, which forms a dihedral angle of 58.06 (9)° with the benzene ring. In the crystal, the molecules are linked into chains parallel to the b axis by N—H...O and C—H...O hydrogen bonds, giving rise to rings with an R 2 1 (6) graph-set motif. The chains are further linked into a three-dimensional network by C—H...π interactions. A Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from C...H (33.2%), H...H (27.7%), Br...H/H...Br (14.2%) and O...H/H...O (13.6%) interactions. The title compound has also been characterized by frontier molecular orbital analysis.
Type of Medium:
Online Resource
ISSN:
2056-9890
DOI:
10.1107/S2056989018013373
DOI:
10.1107/S2056989018013373/rz5241sup1.cif
DOI:
10.1107/S2056989018013373/rz5241Isup2.hkl
DOI:
10.1107/S2056989018013373/rz5241Isup3.cml
Language:
Unknown
Publisher:
International Union of Crystallography (IUCr)
Publication Date:
2018
detail.hit.zdb_id:
2843762-7
detail.hit.zdb_id:
2041947-8
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