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
| Autor: | Boris Kamenar, Dubravka Matković, Antun Nagl |
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| Jazyk: | angličtina |
| Rok vydání: | 1983 |
| Zdroj: | Croatica Chemica Acta Volume 56 Issue 1 |
| ISSN: | 1334-417X 0011-1643 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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