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The crystal and molecular structure of the nematogenic compound 4′‐cyanophenyl‐4‐n‐pentylcyclohexanoate
Author(s) -
Baumeister U.,
Hartung H.,
Jaskólski M.
Publication year - 1982
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.2170170205
Subject(s) - triclinic crystal system , crystallography , molecule , chemistry , crystal structure , cyclohexane , antiparallel (mathematics) , benzene , ring (chemistry) , stereochemistry , group (periodic table) , liquid crystal , materials science , physics , organic chemistry , quantum mechanics , magnetic field , optoelectronics
The crystal and molecular structure of the title compound with the formula C 5 H 11 – –C 6 H 10 –COO–C 6 H 4 –CN (CPPCH) has been determined by X‐ray diffraction methods. The compound crystallizes in the triclinic space group P1 with two molecules in a unit cell of dimensions a = 5.774 Å, b = 9.150 Å, c = 16.878 Å, α = 93.05°, β = 97.19°, γ = 93.58°. The structure has been solved by direct methods and refined to an R value of 0.059. The CPPCH molecule adopts a considerably stretched form. The planar bridging carboxylic group is inclined to the benzene ring by 67.3° and by 39.9° to a plane bisecting the cyclohexane ring through its 1 and 4 positions. In the crystal structure a parallel imbricated packing mode with antiparallel neighbouring molecules is approached.