METHYL O[7.3.1.0(2,7)]TRIDECA-2,4,6-TRIENE-13-CARBOXYLATE

Authors
KETTMANN V SVETLIK J
Citation
V. Kettmann et J. Svetlik, METHYL O[7.3.1.0(2,7)]TRIDECA-2,4,6-TRIENE-13-CARBOXYLATE, Acta crystallographica. Section C, Crystal structure communications, 53, 1997, pp. 1493-1495
Citations number
10
Categorie Soggetti
Crystallography
Journal title
Acta crystallographica. Section C, Crystal structure communications → ACNP
ISSN journal
01082701
Volume
53
Year of publication
1997
Part
10
Pages
1493 - 1495
Database
ISI
SICI code
0108-2701(1997)53:<1493:MO>2.0.ZU;2-0
Abstract
The title compound, C15H16N2O4S, represents a conformationally restric ted dihydropyrimidine analogue of 1,4-dihydropyridine-type calcium ant agonists and was selected for a crystal structure determination in ord er to clarify some aspects of structure-activity relationships. The ca rbonyl function of the acetyl group is oriented cis with respect to th e C2-N3 bond, presumably to avoid repulsive interaction between the ne gatively charged carbonyl O and thione S atoms.