Open AccessPressure‐induced polymorphism in cyclopropylamine
Author(s) -
LozanoCasal Patricia,
Allan David R.,
Parsons Simon
Publication year - 2005
Publication title -
acta crystallographica section b
Language(s) - English
Resource type - Journals
eISSN - 1600-5740
pISSN - 0108-7681
DOI - 10.1107/s0108768105026327
Subject(s) - orthorhombic crystal system , polyhedron , crystallography , crystal structure , notation , group (periodic table) , mathematics , graph , chemistry , polymorphism (computer science) , lattice (music) , combinatorics , materials science , physics , biochemistry , arithmetic , organic chemistry , genotype , acoustics , gene
The crystal structure of cyclopropylamine at 1.2 GPa has been determined by X‐ray diffraction methods. The structure of this phase is orthorhombic, space group Pbca and the unit‐cell dimensions are a = 5.0741 (10), b = 9.7594 (10) and c = 13.305 (2) Å. Only one of the two H atoms of the amino group actively participates in the formation of the hydrogen‐bonded chains, C (2) in graph‐set notation, which lie parallel to the crystallographic a axis. Additionally, the topology of the crystal packing is studied using both Voronoi–Dirichlet polyhedra and Hirshfeld surface analyses for the low‐temperature and the high‐pressure structures of cyclopropylamine and the results are compared.