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Crystal structure of N′-hy­droxy­pyrimidine-2-carboximidamide

The title compound, C(5)H(6)N(4)O, is approximately planar, with an angle of 11.04 (15)° between the planes of the pyrimidine ring and the non-H atoms of the carboximidamide unit. The mol­ecule adopts an E configuration about the C=N double bond. In the crystal, adjacent mol­ecules are linked by pai...

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Autores principales: Jasmine, Nithianantham Jeeva, Muthiah, Packianathan Thomas, Stanley, Nithianantham
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257198/
https://www.ncbi.nlm.nih.gov/pubmed/25484698
http://dx.doi.org/10.1107/S1600536814020285
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author Jasmine, Nithianantham Jeeva
Muthiah, Packianathan Thomas
Stanley, Nithianantham
author_facet Jasmine, Nithianantham Jeeva
Muthiah, Packianathan Thomas
Stanley, Nithianantham
author_sort Jasmine, Nithianantham Jeeva
collection PubMed
description The title compound, C(5)H(6)N(4)O, is approximately planar, with an angle of 11.04 (15)° between the planes of the pyrimidine ring and the non-H atoms of the carboximidamide unit. The mol­ecule adopts an E configuration about the C=N double bond. In the crystal, adjacent mol­ecules are linked by pairs of N—H⋯O hydrogen bonds, forming inversion dimers with an R (2) (2)(10) ring motif. The dimers are further linked via N—H⋯N and O—H⋯N hydrogen bonds into a sheet structure parallel to the ac plane. The crystal structure also features N—H⋯O and weak C—H⋯O hydrogen bonds and offset π–π stacking inter­actions between adjacent pyrimidine rings [centroid–centroid distance = 3.622 (1) Å].
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spelling pubmed-42571982014-12-05 Crystal structure of N′-hy­droxy­pyrimidine-2-carboximidamide Jasmine, Nithianantham Jeeva Muthiah, Packianathan Thomas Stanley, Nithianantham Acta Crystallogr Sect E Struct Rep Online Data Reports The title compound, C(5)H(6)N(4)O, is approximately planar, with an angle of 11.04 (15)° between the planes of the pyrimidine ring and the non-H atoms of the carboximidamide unit. The mol­ecule adopts an E configuration about the C=N double bond. In the crystal, adjacent mol­ecules are linked by pairs of N—H⋯O hydrogen bonds, forming inversion dimers with an R (2) (2)(10) ring motif. The dimers are further linked via N—H⋯N and O—H⋯N hydrogen bonds into a sheet structure parallel to the ac plane. The crystal structure also features N—H⋯O and weak C—H⋯O hydrogen bonds and offset π–π stacking inter­actions between adjacent pyrimidine rings [centroid–centroid distance = 3.622 (1) Å]. International Union of Crystallography 2014-09-13 /pmc/articles/PMC4257198/ /pubmed/25484698 http://dx.doi.org/10.1107/S1600536814020285 Text en © Jasmine 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
Jasmine, Nithianantham Jeeva
Muthiah, Packianathan Thomas
Stanley, Nithianantham
Crystal structure of N′-hy­droxy­pyrimidine-2-carboximidamide
title Crystal structure of N′-hy­droxy­pyrimidine-2-carboximidamide
title_full Crystal structure of N′-hy­droxy­pyrimidine-2-carboximidamide
title_fullStr Crystal structure of N′-hy­droxy­pyrimidine-2-carboximidamide
title_full_unstemmed Crystal structure of N′-hy­droxy­pyrimidine-2-carboximidamide
title_short Crystal structure of N′-hy­droxy­pyrimidine-2-carboximidamide
title_sort crystal structure of n′-hy­droxy­pyrimidine-2-carboximidamide
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257198/
https://www.ncbi.nlm.nih.gov/pubmed/25484698
http://dx.doi.org/10.1107/S1600536814020285
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