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Title: Molecular and crystal structure of mesomorphic para-n-hexyloxybenzoic acid

Abstract

The triclinic modification of para-n-hexyloxybenzoic acid is studied using X-ray diffraction analysis (MoK{sub {alpha}} radiation) at 120 K. The crystallographic parameters of the compound are as follows: space group, P1-bara = 7.8854(4) A, b = 14.3021(7) A, c = 33.0513(16) A, {alpha} = 88.738(1) deg., {beta} = 85.701(1) deg., {gamma} = 78.331(1) deg., and Z = 12. The asymmetric unit of the crystal contains six molecules of the acid with different orientations of the aliphatic chain. In the crystal, the molecules are joined into dimers by hydrogen bonds between the carboxyl groups. The crystal packing is built on the principle of the separation of aromatic and aliphatic regions.

Authors:
;  [1]; ;  [2]
  1. Russian Academy of Sciences, Kurnakov Institute of General and Inorganic Chemistry (Russian Federation)
  2. Moscow Academy of Fine Chemical Technology (Russian Federation)
Publication Date:
OSTI Identifier:
21091514
Resource Type:
Journal Article
Resource Relation:
Journal Name: Crystallography Reports; Journal Volume: 51; Journal Issue: 1; Other Information: DOI: 10.1134/S1063774506010111; Copyright (c) 2006 Nauka/Interperiodica; Article Copyright (c) 2006 Pleiades Publishing, Inc; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; AROMATICS; CARBOXYLIC ACIDS; CRYSTAL STRUCTURE; CRYSTALLOGRAPHY; CRYSTALS; SPACE GROUPS; X-RAY DIFFRACTION

Citation Formats

Kuz'mina, L. G., Churakov, A. V., Rukk, N. S., and Pestov, S. M.. Molecular and crystal structure of mesomorphic para-n-hexyloxybenzoic acid. United States: N. p., 2006. Web. doi:10.1134/S1063774506010111.
Kuz'mina, L. G., Churakov, A. V., Rukk, N. S., & Pestov, S. M.. Molecular and crystal structure of mesomorphic para-n-hexyloxybenzoic acid. United States. doi:10.1134/S1063774506010111.
Kuz'mina, L. G., Churakov, A. V., Rukk, N. S., and Pestov, S. M.. Sun . "Molecular and crystal structure of mesomorphic para-n-hexyloxybenzoic acid". United States. doi:10.1134/S1063774506010111.
@article{osti_21091514,
title = {Molecular and crystal structure of mesomorphic para-n-hexyloxybenzoic acid},
author = {Kuz'mina, L. G. and Churakov, A. V. and Rukk, N. S. and Pestov, S. M.},
abstractNote = {The triclinic modification of para-n-hexyloxybenzoic acid is studied using X-ray diffraction analysis (MoK{sub {alpha}} radiation) at 120 K. The crystallographic parameters of the compound are as follows: space group, P1-bara = 7.8854(4) A, b = 14.3021(7) A, c = 33.0513(16) A, {alpha} = 88.738(1) deg., {beta} = 85.701(1) deg., {gamma} = 78.331(1) deg., and Z = 12. The asymmetric unit of the crystal contains six molecules of the acid with different orientations of the aliphatic chain. In the crystal, the molecules are joined into dimers by hydrogen bonds between the carboxyl groups. The crystal packing is built on the principle of the separation of aromatic and aliphatic regions.},
doi = {10.1134/S1063774506010111},
journal = {Crystallography Reports},
number = 1,
volume = 51,
place = {United States},
year = {Sun Jan 15 00:00:00 EST 2006},
month = {Sun Jan 15 00:00:00 EST 2006}
}