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Crystal and molecular structure of trichloro benzyl methyl carbinyl acetate (C 10 H 9 O 2 Cl 3 )
Author(s) -
Sambyal Vinod Singh,
Goswami K. N.,
Singh Tej P.,
Thappa R. K.
Publication year - 1994
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/crat.2170290513
Subject(s) - monoclinic crystal system , van der waals force , crystal structure , benzene , ring (chemistry) , molecule , chemistry , crystallography , crystal (programming language) , organic chemistry , computer science , programming language
The crystal structure of trichloro benzyl methyl carbinyl acetate has been determined by X‐ray analysis. The compound crystallises in the monoclinic crystal system with the space group P2 1 /a, with cell parameters a = 12.821(1) Å, b = 7.735(2) Å, c = 13.304(2) Å, β = 1117.15(1)°. The structure has been solved by direct methods and refined up to R = 0.064. The six membered benzene ring is planar with maximum deviation 0.0048 Å for the C(3) atom. The molecules are held together by van der Waals interactions.