Pressure-induced polymorphism in cyclopropylamine

P Lozano-Casal, D R Allan, S Parsons

Research output: Contribution to journalArticlepeer-review

Abstract

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) angstrom. 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.

Original languageEnglish
Pages (from-to)717-723
Number of pages7
JournalActa Crystallographica Section B - Structural Science
Volume61
DOIs
Publication statusPublished - Dec 2005

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