Crystal and molecular structure of N‐(Diethylaminothiocarbonyl)‐N′‐phenyl‐benzamidine | Zendy

Braun U. | Zendy; Sieler J. | Zendy; Richter R. | Zendy; Leban I. | Zendy; Golič L. | Zendy

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Crystal and molecular structure of N‐(Diethylaminothiocarbonyl)‐N′‐phenyl‐benzamidine

Author(s) -

Braun U.,

Sieler J.,

Richter R.,

Leban I.,

Golič L.

Publication year - 1988

Publication title -

crystal research and technology

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.377

H-Index - 64

eISSN - 1521-4079

pISSN - 0232-1300

DOI - 10.1002/crat.2170230106

Subject(s) - monoclinic crystal system , diffractometer , crystal structure , crystallography , molecule , benzamidine , intermolecular force , crystal (programming language) , chemistry , tautomer , enamine , stereochemistry , organic chemistry , enzyme , computer science , programming language , catalysis

The crystal structure of the title compound has been determined by X‐ray diffractometer data collected on a CAD‐4 diffractometer. C 18 H 21 N 3 S crystallizes monoclinic, space group P 2 1 /n with a = 8.939(1) Å, b = 18.992(3) Å, c = 10.416(2) Å, β = 97.29(2) Å and Z = 4. Least‐squares refinement gave a value of R = 0.107 for 2647 observed reflections. The molecule has a configuration which can be described best by Z, E′ and exists in the tautomeric enamine form. The molecules form infinite chains connected by intermolecular N—H … S interactions, with H … S distances of 2.46 Å.

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