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A second monoclinic polymorph of N-(diethyl-amino-thio-carbon-yl)-N'-phenyl-benzamidine.

ABSTRACT: The asymmetric unit of the title compound, C(18)H(21)N(3)S, contains five mol-ecules. The equivalent bond distances in the five mol-ecules are in excellent agreement, the r.m.s. fit being within 0.007?Å. The five mol-ecules are linked into a chain consisting of alternating pseudo-enanti-omers by N-H?S hydrogen bonds supplemented by weak C-H?? inter-actions. The action of a glide plane links the asymmetric unit into an extended chain. A polymorph of the title compound with one mol-ecule in the asymmetric unit was reported by Braun et al. [Cryst. Res. Technol. (1988), 23, 35-39].

SUBMITTER: Schroder B

PROVIDER: S-EPMC3099880 | biostudies-other | 2011 Apr

REPOSITORIES: biostudies-other

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A second monoclinic polymorph of N-(diethyl-amino-thio-carbon-yl)-N'-phenyl-benzamidine.

Schröder Bernd B Gomes Ligia R LR Santos Luís M N B F LM Brandão Paula P Low John Nicolson JN

Acta crystallographica. Section E, Structure reports online 20110326 Pt 4

The asymmetric unit of the title compound, C(18)H(21)N(3)S, contains five mol-ecules. The equivalent bond distances in the five mol-ecules are in excellent agreement, the r.m.s. fit being within 0.007 Å. The five mol-ecules are linked into a chain consisting of alternating pseudo-enanti-omers by N-H⋯S hydrogen bonds supplemented by weak C-H⋯π inter-actions. The action of a glide plane links the asymmetric unit into an extended chain. A polymorph of the title compound with one mol-ecule in the as ...[more]

PMID: 21754226

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