Ethyl 2-{3-[(6-chloro­pyridin-3-yl)meth­yl]-2-(nitro­imino)­imidazolidin-1-yl}acetate

In the title compound, C(13)H(16)ClN(5)O(4), the imidazole ring is in a slight envelope conformation. The dihedral angle between the pyridine ring and the four essentially planar atoms [maximum deviation 0.015 (2) Å] of the imidazole ring is 80.8 (1)°. In, the crystal, weak C—H⋯O and C—H⋯N hydrogen...

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Autores principales: Kapoor, Kamini, Deshmukh, Madhukar B., Shripanavar, Chetan S., Gupta, Vivek K., Kant, Rajni
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3343957/
https://www.ncbi.nlm.nih.gov/pubmed/22590038
http://dx.doi.org/10.1107/S160053681200918X
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author Kapoor, Kamini
Deshmukh, Madhukar B.
Shripanavar, Chetan S.
Gupta, Vivek K.
Kant, Rajni
author_facet Kapoor, Kamini
Deshmukh, Madhukar B.
Shripanavar, Chetan S.
Gupta, Vivek K.
Kant, Rajni
author_sort Kapoor, Kamini
collection PubMed
description In the title compound, C(13)H(16)ClN(5)O(4), the imidazole ring is in a slight envelope conformation. The dihedral angle between the pyridine ring and the four essentially planar atoms [maximum deviation 0.015 (2) Å] of the imidazole ring is 80.8 (1)°. In, the crystal, weak C—H⋯O and C—H⋯N hydrogen bonds are present. In addition, there are weak π–π stacking inter­actions between symmetry-related pyridine rings with a centroid–centroid distance of 3.807 (1) Å.
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spelling pubmed-33439572012-05-15 Ethyl 2-{3-[(6-chloro­pyridin-3-yl)meth­yl]-2-(nitro­imino)­imidazolidin-1-yl}acetate Kapoor, Kamini Deshmukh, Madhukar B. Shripanavar, Chetan S. Gupta, Vivek K. Kant, Rajni Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(13)H(16)ClN(5)O(4), the imidazole ring is in a slight envelope conformation. The dihedral angle between the pyridine ring and the four essentially planar atoms [maximum deviation 0.015 (2) Å] of the imidazole ring is 80.8 (1)°. In, the crystal, weak C—H⋯O and C—H⋯N hydrogen bonds are present. In addition, there are weak π–π stacking inter­actions between symmetry-related pyridine rings with a centroid–centroid distance of 3.807 (1) Å. International Union of Crystallography 2012-03-07 /pmc/articles/PMC3343957/ /pubmed/22590038 http://dx.doi.org/10.1107/S160053681200918X Text en © Kapoor et al. 2012 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
Kapoor, Kamini
Deshmukh, Madhukar B.
Shripanavar, Chetan S.
Gupta, Vivek K.
Kant, Rajni
Ethyl 2-{3-[(6-chloro­pyridin-3-yl)meth­yl]-2-(nitro­imino)­imidazolidin-1-yl}acetate
title Ethyl 2-{3-[(6-chloro­pyridin-3-yl)meth­yl]-2-(nitro­imino)­imidazolidin-1-yl}acetate
title_full Ethyl 2-{3-[(6-chloro­pyridin-3-yl)meth­yl]-2-(nitro­imino)­imidazolidin-1-yl}acetate
title_fullStr Ethyl 2-{3-[(6-chloro­pyridin-3-yl)meth­yl]-2-(nitro­imino)­imidazolidin-1-yl}acetate
title_full_unstemmed Ethyl 2-{3-[(6-chloro­pyridin-3-yl)meth­yl]-2-(nitro­imino)­imidazolidin-1-yl}acetate
title_short Ethyl 2-{3-[(6-chloro­pyridin-3-yl)meth­yl]-2-(nitro­imino)­imidazolidin-1-yl}acetate
title_sort ethyl 2-{3-[(6-chloro­pyridin-3-yl)meth­yl]-2-(nitro­imino)­imidazolidin-1-yl}acetate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3343957/
https://www.ncbi.nlm.nih.gov/pubmed/22590038
http://dx.doi.org/10.1107/S160053681200918X
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AT guptavivekk ethyl236chloropyridin3ylmethyl2nitroiminoimidazolidin1ylacetate
AT kantrajni ethyl236chloropyridin3ylmethyl2nitroiminoimidazolidin1ylacetate

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