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Pressure-induced polymorphism in cyclopropylamine

DOI: 10.1107/S0108768105026327 DOI Help
PMID: 16306679 PMID Help

Authors: P. Lozano-casal (School of Chemistry, The University of Edinburgh, U.K) , D.r. Allan (Diamond Light Source) , S. Parsons (School of Chemistry, The University of Edinburgh, U.K)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Acta Crystallographica Section B Structural Science , VOL 61 , PAGES 717-723

State: Published (Approved)
Published: December 2005

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.

Journal Keywords: Cyclopropylamine; Pressure-Induced Polymorphism.

Subject Areas: Chemistry

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Added On: 01/04/2012 13:26

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