5-Bromo-N-methyl­pyrimidin-2-amine

In the title mol­ecule, C(5)H(6)BrN(3), the pyrimidine ring is essentially planar, with an r.m.s. deviation of 0.007 Å. The Br and N atoms substituted to the pyrimidine ring are coplanar with the ring [displacements = 0.032 (1) and 0.009 (5) Å, respectively], while the methyl C atom lies 0.100 (15) ...

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Detalles Bibliográficos
Autores principales: Yang, Qi, Xu, Ning, Zhu, Kai, Lv, Xiaoping, Han, Ping-fang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254458/
https://www.ncbi.nlm.nih.gov/pubmed/22259398
http://dx.doi.org/10.1107/S1600536811051531
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author Yang, Qi
Xu, Ning
Zhu, Kai
Lv, Xiaoping
Han, Ping-fang
author_facet Yang, Qi
Xu, Ning
Zhu, Kai
Lv, Xiaoping
Han, Ping-fang
author_sort Yang, Qi
collection PubMed
description In the title mol­ecule, C(5)H(6)BrN(3), the pyrimidine ring is essentially planar, with an r.m.s. deviation of 0.007 Å. The Br and N atoms substituted to the pyrimidine ring are coplanar with the ring [displacements = 0.032 (1) and 0.009 (5) Å, respectively], while the methyl C atom lies 0.100 (15) Å from this plane with a dihedral angle between the pyrimidine ring and the methyl­amine group of 4.5 (3)°. In the crystal, C—H⋯N, C—H⋯Br and N—H⋯N hydrogen bonds link the mol­ecules into a two-dimensional network in the (011) plane.
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spelling pubmed-32544582012-01-18 5-Bromo-N-methyl­pyrimidin-2-amine Yang, Qi Xu, Ning Zhu, Kai Lv, Xiaoping Han, Ping-fang Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title mol­ecule, C(5)H(6)BrN(3), the pyrimidine ring is essentially planar, with an r.m.s. deviation of 0.007 Å. The Br and N atoms substituted to the pyrimidine ring are coplanar with the ring [displacements = 0.032 (1) and 0.009 (5) Å, respectively], while the methyl C atom lies 0.100 (15) Å from this plane with a dihedral angle between the pyrimidine ring and the methyl­amine group of 4.5 (3)°. In the crystal, C—H⋯N, C—H⋯Br and N—H⋯N hydrogen bonds link the mol­ecules into a two-dimensional network in the (011) plane. International Union of Crystallography 2011-12-14 /pmc/articles/PMC3254458/ /pubmed/22259398 http://dx.doi.org/10.1107/S1600536811051531 Text en © Yang 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
Yang, Qi
Xu, Ning
Zhu, Kai
Lv, Xiaoping
Han, Ping-fang
5-Bromo-N-methyl­pyrimidin-2-amine
title 5-Bromo-N-methyl­pyrimidin-2-amine
title_full 5-Bromo-N-methyl­pyrimidin-2-amine
title_fullStr 5-Bromo-N-methyl­pyrimidin-2-amine
title_full_unstemmed 5-Bromo-N-methyl­pyrimidin-2-amine
title_short 5-Bromo-N-methyl­pyrimidin-2-amine
title_sort 5-bromo-n-methyl­pyrimidin-2-amine
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254458/
https://www.ncbi.nlm.nih.gov/pubmed/22259398
http://dx.doi.org/10.1107/S1600536811051531
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AT xuning 5bromonmethylpyrimidin2amine
AT zhukai 5bromonmethylpyrimidin2amine
AT lvxiaoping 5bromonmethylpyrimidin2amine
AT hanpingfang 5bromonmethylpyrimidin2amine

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