Crystal and molecular structure of the unreactive form of 1,8-bis (p-chlorophenyl)-octa-1,7-diene-3,5-diyne

Autor:	H. N. Shrivastava, Naveenchandra
Rok vydání:	1987
Předmět:	Diene General Chemistry Crystal structure Condensed Matter Physics Crystal chemistry.chemical_compound Crystallography chemistry Polymerization Structural Biology X-ray crystallography Molecule Spectroscopy Organometallic chemistry Monoclinic crystal system
Zdroj:	Journal of Crystallographic and Spectroscopic Research. 17:701-711
ISSN:	1572-8854 0277-8068
DOI:	10.1007/bf01160734
Popis:	The title compound (C20H12Cl2,M r =322, mp 69–70°C) crystallizes in the monoclinic system, space groupP21/n, witha=3.942(2),b=6.887(2),c=28.701(4) A,β=91.362(4)°,V c =778.93(2) A3,Z=2,D c =1.373,D m =1.370(1) (in C6H6/CCl4) g cm−3,F(000)=332 and μ(MoKα)=3.57 cm−1. The final residuals areR=0.0365 andR w =0.0368 for 999 observed reflections at the levelI≥3σ(I). The molecule as a whole is found to havetrans conformation. This structural study reveals that the title compound does not undergo solid-state polymerization due to close packing.
Databáze:	OpenAIRE
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