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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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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]. |
format | Online Article Text |
id | pubmed-4257198 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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