Disordered structure of propane-1,2-diaminium dichloride.

ABSTRACT: In the title compound, C(3)H(12)N(2) (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-sym-metrical 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 inter-actions between cations and anions.

SUBMITTER: Pospieszna-Markiewicz I 

PROVIDER: S-EPMC3051629 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature