Cl??(Ar), Cl?Cl, and other intermolecular interactions in the crystal structure of 8-nitro-6-methyl-2-trichloromethyl-4-dichloromethylene-1,3-benzodioxin

Autor:	Anne Irving
Rok vydání:	1993
Předmět:	Bicyclic molecule Chemistry Intermolecular force General Chemistry Crystal structure Condensed Matter Physics Ring (chemistry) Crystallography chemistry.chemical_compound Structural Biology Electrophile Molecule Spectroscopy Organometallic chemistry Monoclinic crystal system
Zdroj:	Journal of Crystallographic and Spectroscopic Research. 23:733-738
ISSN:	1572-8854 0277-8068
DOI:	10.1007/bf01187275
Popis:	Crystals of the title compound are monoclinic,P21,a=9.791(4),b=7.129(3),c=10.428(3)A,β=91.84(3)°,V=727.50A3,Z=2. The structure was solved by direct methods, from data collected at room temperature on an Enraf-Nonius CAD4 diffractometer, and refined by full matrix least squares to a finalR value of 0.045 using 2466 reflections. The molecules form stacks along theb axis of the form⋯A, B, A, B⋯(A=dichloromethylene group; B=aromatic ring in the molecule at −x, 1/2+y, −z to the molecule atx, y, z containing A). Cl⋯π(Ar),π⋯π, Cl⋯Cl, Cl⋯O(N), (Cl3C)H⋯O intermolecular interactions are also present. An inverse correlation between the (C)Cl⋯Cl(C) distance and the difference in the corresponding pairs of C-Cl⋯Cl angles is observed and is interpreted in terms of incipient nucleophile: electrophile attack.
Databáze:	OpenAIRE
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