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Disordered structure of propane-1,2-diaminium dichloride

By Izabela Pospieszna-Markiewicz, Ewa Zielaskiewicz, Wanda Radecka-Paryzek and Maciej Kubicki

Abstract

In the title compound, C3H12N2 2+·2Cl−, the cations are disordered over two well resolved positions in a 0.525 (13):0.475 (13) ratio. The disorder involves two C atoms which assume positions that make an almost mirror-sym­metrical system. Similar disorder is observed both at room temperature and at 120 (1) K. The conformation of the NCCN chain in both components is close to trans (the torsion angles ca ±170°), while that of CCCN chain is close to gauche (±50°). In the crystal, a network of relatively strong N—H⋯Cl hydrogen bonds connects the cations and anions into one-cation-deep layers parallel to (001); there are R 2 4(8) and R 2 4(11) ring motifs within the plane. The planes are only loosely connected by van der Waals contacts and electrostatic inter­actions between cations and anions

Topics: Organic Papers
Publisher: International Union of Crystallography
OAI identifier: oai:pubmedcentral.nih.gov:3051629
Provided by: PubMed Central

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Citations

  1. (2009). 1971–1983. organic compounds o372 Pospieszna-Markiewicz et al. C3H12N2 2+ 2Cl Acta Cryst.
  2. (2003). Acta Cryst. E59, m739–m741. organic compounds Acta Cryst.
  3. (2009). CrysAlis PRO. Oxford Diffraction Ltd,
  4. Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) x y z Uiso*/Ueq Occ.
  5. (1983). The crystal packing as seen along direction [001]. Only the cations of major part are shown. Hydrogen bonds are depicted as dashed lines.supplementary materials sup-3 propane-1,2-diaminium dichloride Crystal data