Original scientific paper

Crystal and Molecular Structure of Two (Phenylsulfonyl)-3- -(hexahydroazepin-1-yl)-ureas: (A) 1-( 4-Chlorophenylsulfonyl)- -3-(hexahydro-lH-azepin-1-yl)-urea and (B) 1-(4-1\'lethylphenylsulfonyl)- 3-(hexahydro-1H-azepin-1-yl)-urea

Boris Kamenar ; Laboratory of General and Inorganic Chemistry, Faculty of Science, The University, · P .O. Box 153, 41001 Zagreb, Yugoslavia
Dubravka Matković ; Laboratory of General and Inorganic Chemistry, Faculty of Science, The University, · P .O. Box 153, 41001 Zagreb, Yugoslavia
Antun Nagl ; Laboratory of General and Inorganic Chemistry, Faculty of Science, The University, · P .O. Box 153, 41001 Zagreb, Yugoslavia

Abstract

The crystal structure of the title compounds has been determined
from diffractometer X-ray intensity data using direct
methods and refined by the least-squares procedure to a conventional
R index of 0.044 and 0.065 for (A) and (B), respe£_tively.
Crystals of both compounds are triclinic, space group Pl, with
two molecules in the unit cells. Molecules (A) and (B) have a
similar but not identical shape, the difference most probably
being due to different hydrogen bonding between neighbouring
molecules. The shape of individual molecules may be described in
terms of three planes: hexahydroazepine rings, benzene rings and
urea residues with the S atoms of the S02 groups. The seven-
membered hexahydroazepine ring of (B) has a boat conformation
while that of (A) is disordered with approximately half of the
molecules in boat and half iri chair form.

Keywords

Hrčak ID:

194243

URI

https://hrcak.srce.hr/194243

Publication date:

15.4.1983.

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