Ethyl 5-oxo-4-phenyl-5,6-di­hydro-4H-1,3,4-oxadiazine-2-carboxyl­ate

The asymmetric unit of title compound, C(12)H(12)N(2)O(4), consists of two independent mol­ecules. In each mol­ecule, the oxadiazine ring has a flattened envelope conformation with the methyl­ene C atom as the flap atom, and the eth­oxy­carbonyl unit is in a syn-periplanar conformation with respect...

Descripción completa

Detalles Bibliográficos
Autores principales: Shubakara, K., Chandra, Srikantamurthy, N., Mahendra, M., Umesha, K. B.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4051085/
https://www.ncbi.nlm.nih.gov/pubmed/24940244
http://dx.doi.org/10.1107/S1600536814011106
_version_ 1782320055985373184
author Shubakara, K.
Chandra,
Srikantamurthy, N.
Mahendra, M.
Umesha, K. B.
author_facet Shubakara, K.
Chandra,
Srikantamurthy, N.
Mahendra, M.
Umesha, K. B.
author_sort Shubakara, K.
collection PubMed
description The asymmetric unit of title compound, C(12)H(12)N(2)O(4), consists of two independent mol­ecules. In each mol­ecule, the oxadiazine ring has a flattened envelope conformation with the methyl­ene C atom as the flap atom, and the eth­oxy­carbonyl unit is in a syn-periplanar conformation with respect to the oxadiazine ring as indicated by O—C—C=O torsion angles of 1.9 (4) and 2.5 (4)°. The dihedral angles between the mean plane of the oxadiazine ring and the phenyl ring are 80.07 (13) and 42.98 (14)°. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds and stacked in a double-column along the a-axis direction.
format Online
Article
Text
id pubmed-4051085
institution National Center for Biotechnology Information
language English
publishDate 2014
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-40510852014-06-17 Ethyl 5-oxo-4-phenyl-5,6-di­hydro-4H-1,3,4-oxadiazine-2-carboxyl­ate Shubakara, K. Chandra, Srikantamurthy, N. Mahendra, M. Umesha, K. B. Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of title compound, C(12)H(12)N(2)O(4), consists of two independent mol­ecules. In each mol­ecule, the oxadiazine ring has a flattened envelope conformation with the methyl­ene C atom as the flap atom, and the eth­oxy­carbonyl unit is in a syn-periplanar conformation with respect to the oxadiazine ring as indicated by O—C—C=O torsion angles of 1.9 (4) and 2.5 (4)°. The dihedral angles between the mean plane of the oxadiazine ring and the phenyl ring are 80.07 (13) and 42.98 (14)°. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds and stacked in a double-column along the a-axis direction. International Union of Crystallography 2014-05-17 /pmc/articles/PMC4051085/ /pubmed/24940244 http://dx.doi.org/10.1107/S1600536814011106 Text en © Shubakara et al. 2014 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
Shubakara, K.
Chandra,
Srikantamurthy, N.
Mahendra, M.
Umesha, K. B.
Ethyl 5-oxo-4-phenyl-5,6-di­hydro-4H-1,3,4-oxadiazine-2-carboxyl­ate
title Ethyl 5-oxo-4-phenyl-5,6-di­hydro-4H-1,3,4-oxadiazine-2-carboxyl­ate
title_full Ethyl 5-oxo-4-phenyl-5,6-di­hydro-4H-1,3,4-oxadiazine-2-carboxyl­ate
title_fullStr Ethyl 5-oxo-4-phenyl-5,6-di­hydro-4H-1,3,4-oxadiazine-2-carboxyl­ate
title_full_unstemmed Ethyl 5-oxo-4-phenyl-5,6-di­hydro-4H-1,3,4-oxadiazine-2-carboxyl­ate
title_short Ethyl 5-oxo-4-phenyl-5,6-di­hydro-4H-1,3,4-oxadiazine-2-carboxyl­ate
title_sort ethyl 5-oxo-4-phenyl-5,6-di­hydro-4h-1,3,4-oxadiazine-2-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4051085/
https://www.ncbi.nlm.nih.gov/pubmed/24940244
http://dx.doi.org/10.1107/S1600536814011106
work_keys_str_mv AT shubakarak ethyl5oxo4phenyl56dihydro4h134oxadiazine2carboxylate
AT chandra ethyl5oxo4phenyl56dihydro4h134oxadiazine2carboxylate
AT srikantamurthyn ethyl5oxo4phenyl56dihydro4h134oxadiazine2carboxylate
AT mahendram ethyl5oxo4phenyl56dihydro4h134oxadiazine2carboxylate
AT umeshakb ethyl5oxo4phenyl56dihydro4h134oxadiazine2carboxylate

Ejemplares similares