Online article for Non-subscribers

Pay per view

Heterocycles has a pay-per-view service for Non-subscribers.
You will be able to directly purchase the full text article through PayPal.
Your purchased Paper can be downloaded after the payment is completed.
An e-mail will be sent the URL to download the paper.
If you have any questions, please contact: purchase@heterocycles.com

Price: ¥ 4,320 (Yen only)
Period: This Article can be accessed for 7 days.

Paper | Regular issue | Vol 45, No. 11, 1997, pp.2175-2184
Published online, 1st January, 1970
DOI: 10.3987/COM-97-7919
Crystal and Molecular Structure of a Rimazolium®Decomposition Product.Calculation of Pyramidality of Analogous Cyclic Amides

Kálmán Simon,* Levente Pusztay, Miklós Hanusz, Zsolt Böcskei, Benjamin Podányi, Miklós Fehér, and István Hermecz

*CHINOIN Pharmaceutical and Chemical Works Ltd., P. O. Box 110, H-1325 Budapest, Hungary

Abstract

The solid state structure of 10 was determined by X-Ray investigations, and stereostructure of 1,6,7,8,9,9a-hexahydro-4H-pyrido[1,2-a]pyrimidin-4-ones were studied by semiempirical quantum chemical calculations at the AM1 level. While 9a-unsubstituted 1-methyl-1,6,7,8,9,9a-hexahydro-4H-pyrido[1,2-a]pyrimidin-4-ones adopt a cis-fused conformation, 9a-ethoxy-1-methyl derivative has a trans-fused conformation to avoid a serious non-bonding interaction between 9a-ethoxy and 1-methyl groups in cis-fused one.