The Crystal and Molecular Structure of 4'-Cyanophenyl-4-n-Pentylbenzoate
- 1 August 1982
- journal article
- research article
- Published by Taylor & Francis in Molecular Crystals and Liquid Crystals
- Vol. 88 (1-4) , 167-181
- https://doi.org/10.1080/00268948208072594
Abstract
The crystal and molecular structure of the title compound with the formula C5H11—C6H4—COO—C6H4—CN (CPPB) has been determined by X-ray diffraction methods. CPPB crystallizes in the monoclinic space group P21/n with eight molecules in a unit cell of dimensions a = 15.268(2) Å, b = 9.165(1) Å, c = 24.031(3) Å, β = 94.67(1)°. The structure has been solved by direct methods and refined to an R value of 0.070. The CPPB molecules adopt a stretched form and are packed in an approximate parallel imbricated mode, the molecular long axes making an angle of about 5° with the crystal c axis. The molecular geometry and packing are discussed in relation to the mesomorphic behavior of CPPB.Keywords
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