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Packing Disordered Molecular Crystals and their Molecular Alloys
Author(s) -
Tamarit J. Ll.,
Barrio M.,
López D. O.,
Haget Y.
Publication year - 1997
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889896012228
Subject(s) - neopentane , intermolecular force , atomic packing factor , crystallography , hydrogen bond , close packing of equal spheres , phase (matter) , materials science , phase diagram , chemistry , chemical physics , thermodynamics , molecule , organic chemistry , physics
The packing coefficient is analyzed in orientational disordered phases for a set of series of compounds derived from neopentane [C(CH 3 ) 4 ] by means of the substitution of methyl by other groups such as CH 2 OH, NH 2 , NO 2 and COOH. The packing coefficient, which enables the intermolecular interactions in the mentioned phases to be accounted for, reaches relatively high values when the interactions generated by means of the dynamical hydrogen bonds are present. The variation of the packing coefficient as a function of the molar fraction in two‐component phase diagrams between isomorphous and nonisomorphous orientational disordered phases is also reported in order to understand intermolecular interactions in mixed crystals.