Crystal structure of 4-{[(cyano­imino)(methyl­sulfanyl)meth­yl]amino}-1,5-dimethyl-2-phenyl-2,3-di­hydro-1H-pyrazol-3-one

In the title compound, C(14)H(15)N(5)OS, the tautomer present in the solid state is that in which the immediately exocyclic N atom bears the H atom. The central five-membered ring is almost planar (r.m.s. deviation = 0.025 Å), but both its N atoms are significantly pyramidalized. A classical hydroge...

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Detalles Bibliográficos
Autores principales: Elgemeie, Galal H., Abouzeid, Mamdouh, Jones, Peter G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4331913/
https://www.ncbi.nlm.nih.gov/pubmed/25705464
http://dx.doi.org/10.1107/S2056989014027601
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author Elgemeie, Galal H.
Abouzeid, Mamdouh
Jones, Peter G.
author_facet Elgemeie, Galal H.
Abouzeid, Mamdouh
Jones, Peter G.
author_sort Elgemeie, Galal H.
collection PubMed
description In the title compound, C(14)H(15)N(5)OS, the tautomer present in the solid state is that in which the immediately exocyclic N atom bears the H atom. The central five-membered ring is almost planar (r.m.s. deviation = 0.025 Å), but both its N atoms are significantly pyramidalized. A classical hydrogen bond from the N—H group to the cyanide N atom forms inversion-symmetric dimers, which are further linked by C—H⋯O inter­actions.
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spelling pubmed-43319132015-02-20 Crystal structure of 4-{[(cyano­imino)(methyl­sulfanyl)meth­yl]amino}-1,5-dimethyl-2-phenyl-2,3-di­hydro-1H-pyrazol-3-one Elgemeie, Galal H. Abouzeid, Mamdouh Jones, Peter G. Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(14)H(15)N(5)OS, the tautomer present in the solid state is that in which the immediately exocyclic N atom bears the H atom. The central five-membered ring is almost planar (r.m.s. deviation = 0.025 Å), but both its N atoms are significantly pyramidalized. A classical hydrogen bond from the N—H group to the cyanide N atom forms inversion-symmetric dimers, which are further linked by C—H⋯O inter­actions. International Union of Crystallography 2015-01-01 /pmc/articles/PMC4331913/ /pubmed/25705464 http://dx.doi.org/10.1107/S2056989014027601 Text en © Elgemeie et al. 2015 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 Research Communications
Elgemeie, Galal H.
Abouzeid, Mamdouh
Jones, Peter G.
Crystal structure of 4-{[(cyano­imino)(methyl­sulfanyl)meth­yl]amino}-1,5-dimethyl-2-phenyl-2,3-di­hydro-1H-pyrazol-3-one
title Crystal structure of 4-{[(cyano­imino)(methyl­sulfanyl)meth­yl]amino}-1,5-dimethyl-2-phenyl-2,3-di­hydro-1H-pyrazol-3-one
title_full Crystal structure of 4-{[(cyano­imino)(methyl­sulfanyl)meth­yl]amino}-1,5-dimethyl-2-phenyl-2,3-di­hydro-1H-pyrazol-3-one
title_fullStr Crystal structure of 4-{[(cyano­imino)(methyl­sulfanyl)meth­yl]amino}-1,5-dimethyl-2-phenyl-2,3-di­hydro-1H-pyrazol-3-one
title_full_unstemmed Crystal structure of 4-{[(cyano­imino)(methyl­sulfanyl)meth­yl]amino}-1,5-dimethyl-2-phenyl-2,3-di­hydro-1H-pyrazol-3-one
title_short Crystal structure of 4-{[(cyano­imino)(methyl­sulfanyl)meth­yl]amino}-1,5-dimethyl-2-phenyl-2,3-di­hydro-1H-pyrazol-3-one
title_sort crystal structure of 4-{[(cyano­imino)(methyl­sulfanyl)meth­yl]amino}-1,5-dimethyl-2-phenyl-2,3-di­hydro-1h-pyrazol-3-one
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4331913/
https://www.ncbi.nlm.nih.gov/pubmed/25705464
http://dx.doi.org/10.1107/S2056989014027601
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