INFLUENCE OF CRYSTAL ENVIRONMENT ON MOLECULAR-CONFORMATION - P-BROMO-N-(P-DIMETHYLAMINOBENZYLIDENE)ANILINE

Citation
Mt. Ahmet et al., INFLUENCE OF CRYSTAL ENVIRONMENT ON MOLECULAR-CONFORMATION - P-BROMO-N-(P-DIMETHYLAMINOBENZYLIDENE)ANILINE, Acta crystallographica. Section C, Crystal structure communications, 50, 1994, pp. 1814-1818
Citations number
21
Categorie Soggetti
Crystallography
ISSN journal
01082701
Volume
50
Year of publication
1994
Part
11
Pages
1814 - 1818
Database
ISI
SICI code
0108-2701(1994)50:<1814:IOCEOM>2.0.ZU;2-2
Abstract
p-Bromo-N-(p-dimethylaminobenzylidene) aniline, C15H15BrN2, (1), compr ises two independent molecules with markedly different conformations. Molecule A is essentially planar along its entire length (including th e dimethylamino group) whereas molecule B deviates considerably from p lanarity with an interplanar angle of 145.8 (3)degrees between the two phenyl rings and the NMe(2) group twisted by 10 (2)degrees out of the plane of the phenyl ring to which it is bound. While polymorphism and crystal packing effects are well documented for benzylidene derivativ es, this is an interesting example with two quite distinct conformatio ns in the same crystal phase. The differences are accounted for in ter ms of crystal-packing effects. The structure highlights the ability of particular molecular arrangements to stabilize a less favourable mole cular conformation.