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N—H...O and C—H...F hydrogen bonds in the incommensurately modulated crystal structure of adamantan‐1‐ammonium 4‐fluorobenzoate
Author(s) -
Schönleber Andreas,
van Smaalen Sander,
Weiss HansChristoph,
Kesel Andreas J.
Publication year - 2014
Publication title -
acta crystallographica section b
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.604
H-Index - 33
ISSN - 2052-5206
DOI - 10.1107/s2052520614007707
Subject(s) - superspace , hydrogen bond , crystallography , intermolecular force , chemistry , crystal structure , crystal (programming language) , hydrogen , ammonium , phase (matter) , stereochemistry , molecule , physics , organic chemistry , supersymmetry , computer science , programming language , mathematical physics
At low temperatures the organic salt adamantan‐1‐ammonium 4‐fluorobenzoate, C 10 H 18 N + ·C 7 H 4 FO 2 − , possesses an incommensurately modulated crystal structure. The effect of the modulation on the atomic arrangement and intermolecular interactions is studied by analysing single‐crystal X‐ray diffraction data within the (3 + 1)‐dimensional superspace approach and superspace group P 2 1 / n (α0γ)00. The modulation strongly affects the position of the atoms as well as their atomic displacement parameters. Nevertheless, the molecular cations and anions are built by rigid moieties, which vary their orientation with respect to each other as a function of the phase of the modulation t . Cations and anions are connected into slabs by dense N—H...O and C—H...F hydrogen‐bonded networks, which are characterized by being rather rigid and which show only a little variation as a function of the phase of the modulation t .