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Dicyclo-hexyl-ammonium thio-cyanate: monoclinic polymorph.


ABSTRACT: The title salt, C(12)H(24)N(+)·NCS(-), represents a monoclinic polymorph of the previously reported ortho-rhom-bic form [Khawar Rauf et al. (2008 ?). Acta Cryst. E64, o366]. Two independent formula units comprise the asymmetric unit with the major difference in their mol-ecular structures relating to the relative dispositions of the cyclo-hexyl rings [dihedral angles = 79.88?(6) and 67.72?(5)°]. Further, the independent anions form distinctive patterns of hydrogen-bonding inter-actions, i.e. 2 × N-H?N versus N-H?N and N-H?S. The resulting supra-molecular architecture is a supra-molecular chain along the c axis based on a square-wave topology.

SUBMITTER: Selvakumaran N 

PROVIDER: S-EPMC3247581 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

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Dicyclo-hexyl-ammonium thio-cyanate: monoclinic polymorph.

Selvakumaran N N   Karvembu R R   Ng Seik Weng SW   Tiekink Edward R T ER  

Acta crystallographica. Section E, Structure reports online 20111005 Pt 11


The title salt, C(12)H(24)N(+)·NCS(-), represents a monoclinic polymorph of the previously reported ortho-rhom-bic form [Khawar Rauf et al. (2008 ▶). Acta Cryst. E64, o366]. Two independent formula units comprise the asymmetric unit with the major difference in their mol-ecular structures relating to the relative dispositions of the cyclo-hexyl rings [dihedral angles = 79.88 (6) and 67.72 (5)°]. Further, the independent anions form distinctive patterns of hydrogen-bonding inter-actions, i.e. 2 ×  ...[more]

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