(Z)-1,3,4a-Trimethyl-5,5-diphenyl-6-oxa-1,3-diaza­bicyclo­[4.2.0]octane-2,4-dione

The title compound, C(20)H(20)N(2)O(3), is a head-to-tail oxetane, one of the regioisomers obtained by the the Paternó–Büchi reaction of 1,3-dimethyl­thymine with benzophenone. The oxetane ring is folded, the dihedral angle between the C—O—C and C—C—C planes being 14.4 (2)°. The dihedral angle betwe...

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Detalles Bibliográficos
Autores principales: Lin, Zhi-Cai, Shi, Jing-Bo, Tang, Wen-Jian, Li, Jun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961230/
https://www.ncbi.nlm.nih.gov/pubmed/21202288
http://dx.doi.org/10.1107/S1600536808006557
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author Lin, Zhi-Cai
Shi, Jing-Bo
Tang, Wen-Jian
Li, Jun
author_facet Lin, Zhi-Cai
Shi, Jing-Bo
Tang, Wen-Jian
Li, Jun
author_sort Lin, Zhi-Cai
collection PubMed
description The title compound, C(20)H(20)N(2)O(3), is a head-to-tail oxetane, one of the regioisomers obtained by the the Paternó–Büchi reaction of 1,3-dimethyl­thymine with benzophenone. The oxetane ring is folded, the dihedral angle between the C—O—C and C—C—C planes being 14.4 (2)°. The dihedral angle between the two phenyl rings is 64.3 (2)°. The pyrimidine ring adopts a boat conformation. The crystal structure involves weak C—H⋯O hydrogen bonds.
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spelling pubmed-29612302010-12-30 (Z)-1,3,4a-Trimethyl-5,5-diphenyl-6-oxa-1,3-diaza­bicyclo­[4.2.0]octane-2,4-dione Lin, Zhi-Cai Shi, Jing-Bo Tang, Wen-Jian Li, Jun Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(20)H(20)N(2)O(3), is a head-to-tail oxetane, one of the regioisomers obtained by the the Paternó–Büchi reaction of 1,3-dimethyl­thymine with benzophenone. The oxetane ring is folded, the dihedral angle between the C—O—C and C—C—C planes being 14.4 (2)°. The dihedral angle between the two phenyl rings is 64.3 (2)°. The pyrimidine ring adopts a boat conformation. The crystal structure involves weak C—H⋯O hydrogen bonds. International Union of Crystallography 2008-04-04 /pmc/articles/PMC2961230/ /pubmed/21202288 http://dx.doi.org/10.1107/S1600536808006557 Text en © Lin et al. 2008 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Lin, Zhi-Cai
Shi, Jing-Bo
Tang, Wen-Jian
Li, Jun
(Z)-1,3,4a-Trimethyl-5,5-diphenyl-6-oxa-1,3-diaza­bicyclo­[4.2.0]octane-2,4-dione
title (Z)-1,3,4a-Trimethyl-5,5-diphenyl-6-oxa-1,3-diaza­bicyclo­[4.2.0]octane-2,4-dione
title_full (Z)-1,3,4a-Trimethyl-5,5-diphenyl-6-oxa-1,3-diaza­bicyclo­[4.2.0]octane-2,4-dione
title_fullStr (Z)-1,3,4a-Trimethyl-5,5-diphenyl-6-oxa-1,3-diaza­bicyclo­[4.2.0]octane-2,4-dione
title_full_unstemmed (Z)-1,3,4a-Trimethyl-5,5-diphenyl-6-oxa-1,3-diaza­bicyclo­[4.2.0]octane-2,4-dione
title_short (Z)-1,3,4a-Trimethyl-5,5-diphenyl-6-oxa-1,3-diaza­bicyclo­[4.2.0]octane-2,4-dione
title_sort (z)-1,3,4a-trimethyl-5,5-diphenyl-6-oxa-1,3-diaza­bicyclo­[4.2.0]octane-2,4-dione
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961230/
https://www.ncbi.nlm.nih.gov/pubmed/21202288
http://dx.doi.org/10.1107/S1600536808006557
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