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Crystal structure of 1,3-dimethyl-3-phenyl­pyrrolidine-2,5-dione: a clinically used anti­convulsant

In the title compound, C(12)H(13)NO(2), the five-membered ring has an envelope conformation; the disubstituted C atom lies out of the mean plane through the four other ring atoms (r.m.s. deviation = 0.0038 Å) by 0.1877 (18) Å. The plane of the phenyl substituent is practically perpendicular to that...

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Detalles Bibliográficos
Autores principales: Ordonez, Carlos, Pavlovetc, Ilia M., Khrustalev, Victor N.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186160/
https://www.ncbi.nlm.nih.gov/pubmed/25309268
http://dx.doi.org/10.1107/S1600536814016717
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author Ordonez, Carlos
Pavlovetc, Ilia M.
Khrustalev, Victor N.
author_facet Ordonez, Carlos
Pavlovetc, Ilia M.
Khrustalev, Victor N.
author_sort Ordonez, Carlos
collection PubMed
description In the title compound, C(12)H(13)NO(2), the five-membered ring has an envelope conformation; the disubstituted C atom lies out of the mean plane through the four other ring atoms (r.m.s. deviation = 0.0038 Å) by 0.1877 (18) Å. The plane of the phenyl substituent is practically perpendicular to that of the planar part of the five-membered ring, with a dihedral angle of 87.01 (5)°. In the crystal, mol­ecules are linked by weak C—H⋯O hydrogen bonds, forming inversion dimers. The dimers are linked by further C—H⋯O hydrogen bonds, as well as carbon­yl–carbonyl attractive inter­actions [O⋯C = 3.2879 (19) Å], forming a three-dimensional framework structure.
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spelling pubmed-41861602014-10-12 Crystal structure of 1,3-dimethyl-3-phenyl­pyrrolidine-2,5-dione: a clinically used anti­convulsant Ordonez, Carlos Pavlovetc, Ilia M. Khrustalev, Victor N. Acta Crystallogr Sect E Struct Rep Online Data Reports In the title compound, C(12)H(13)NO(2), the five-membered ring has an envelope conformation; the disubstituted C atom lies out of the mean plane through the four other ring atoms (r.m.s. deviation = 0.0038 Å) by 0.1877 (18) Å. The plane of the phenyl substituent is practically perpendicular to that of the planar part of the five-membered ring, with a dihedral angle of 87.01 (5)°. In the crystal, mol­ecules are linked by weak C—H⋯O hydrogen bonds, forming inversion dimers. The dimers are linked by further C—H⋯O hydrogen bonds, as well as carbon­yl–carbonyl attractive inter­actions [O⋯C = 3.2879 (19) Å], forming a three-dimensional framework structure. International Union of Crystallography 2014-08-01 /pmc/articles/PMC4186160/ /pubmed/25309268 http://dx.doi.org/10.1107/S1600536814016717 Text en © Ordonez 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 Data Reports
Ordonez, Carlos
Pavlovetc, Ilia M.
Khrustalev, Victor N.
Crystal structure of 1,3-dimethyl-3-phenyl­pyrrolidine-2,5-dione: a clinically used anti­convulsant
title Crystal structure of 1,3-dimethyl-3-phenyl­pyrrolidine-2,5-dione: a clinically used anti­convulsant
title_full Crystal structure of 1,3-dimethyl-3-phenyl­pyrrolidine-2,5-dione: a clinically used anti­convulsant
title_fullStr Crystal structure of 1,3-dimethyl-3-phenyl­pyrrolidine-2,5-dione: a clinically used anti­convulsant
title_full_unstemmed Crystal structure of 1,3-dimethyl-3-phenyl­pyrrolidine-2,5-dione: a clinically used anti­convulsant
title_short Crystal structure of 1,3-dimethyl-3-phenyl­pyrrolidine-2,5-dione: a clinically used anti­convulsant
title_sort crystal structure of 1,3-dimethyl-3-phenyl­pyrrolidine-2,5-dione: a clinically used anti­convulsant
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186160/
https://www.ncbi.nlm.nih.gov/pubmed/25309268
http://dx.doi.org/10.1107/S1600536814016717
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