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6-Chloro-N-(2-methoxyphenyl)pyridazin-3-amine
The asymmetric unit of the title compound, C(11)H(10)ClN(3)O, contains two geometrically different molecules, A and B, in both of which the pyridazine rings are essentially planar with r.m.s. deviations of 0.0137 and 0.0056Å, respectively. In molecule A, the dihedral angle between the pyridazine a...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3275194/ https://www.ncbi.nlm.nih.gov/pubmed/22347050 http://dx.doi.org/10.1107/S1600536812001535 |
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author | Ather, Abdul Qayyum Tahir, M. Nawaz Khan, Muhammad Naeem Khan, Misbahul Ain Athar, Muhammad Makshoof |
author_facet | Ather, Abdul Qayyum Tahir, M. Nawaz Khan, Muhammad Naeem Khan, Misbahul Ain Athar, Muhammad Makshoof |
author_sort | Ather, Abdul Qayyum |
collection | PubMed |
description | The asymmetric unit of the title compound, C(11)H(10)ClN(3)O, contains two geometrically different molecules, A and B, in both of which the pyridazine rings are essentially planar with r.m.s. deviations of 0.0137 and 0.0056Å, respectively. In molecule A, the dihedral angle between the pyridazine and benzene rings is 6.5 (2)°, whereas in molecule B it is 27.93 (7)°. In molecule B, an intramolecular N—H⋯O hydrogen bond forms an S(5) ring motif. In both molecules, S(6) ring motifs are present due to non-classical C—H⋯N hydrogen bonds. The π–π interactions between the pyridazine rings of A molecules [3.4740 (13) Å] and B molecules [3.4786 (17) Å] have very similar centroid–centroid separations. π–π Interactions also occur between the benzene rings of B molecules with a centroid–centroid separation of 3.676 (2) Å and a slippage of 1.02 Å. In the crystal, the molecules are linked into chains extending along [010] by C—H⋯N and C—H⋯Cl interactions. |
format | Online Article Text |
id | pubmed-3275194 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32751942012-02-15 6-Chloro-N-(2-methoxyphenyl)pyridazin-3-amine Ather, Abdul Qayyum Tahir, M. Nawaz Khan, Muhammad Naeem Khan, Misbahul Ain Athar, Muhammad Makshoof Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(11)H(10)ClN(3)O, contains two geometrically different molecules, A and B, in both of which the pyridazine rings are essentially planar with r.m.s. deviations of 0.0137 and 0.0056Å, respectively. In molecule A, the dihedral angle between the pyridazine and benzene rings is 6.5 (2)°, whereas in molecule B it is 27.93 (7)°. In molecule B, an intramolecular N—H⋯O hydrogen bond forms an S(5) ring motif. In both molecules, S(6) ring motifs are present due to non-classical C—H⋯N hydrogen bonds. The π–π interactions between the pyridazine rings of A molecules [3.4740 (13) Å] and B molecules [3.4786 (17) Å] have very similar centroid–centroid separations. π–π Interactions also occur between the benzene rings of B molecules with a centroid–centroid separation of 3.676 (2) Å and a slippage of 1.02 Å. In the crystal, the molecules are linked into chains extending along [010] by C—H⋯N and C—H⋯Cl interactions. International Union of Crystallography 2012-01-18 /pmc/articles/PMC3275194/ /pubmed/22347050 http://dx.doi.org/10.1107/S1600536812001535 Text en © Ather 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 Ather, Abdul Qayyum Tahir, M. Nawaz Khan, Muhammad Naeem Khan, Misbahul Ain Athar, Muhammad Makshoof 6-Chloro-N-(2-methoxyphenyl)pyridazin-3-amine |
title | 6-Chloro-N-(2-methoxyphenyl)pyridazin-3-amine |
title_full | 6-Chloro-N-(2-methoxyphenyl)pyridazin-3-amine |
title_fullStr | 6-Chloro-N-(2-methoxyphenyl)pyridazin-3-amine |
title_full_unstemmed | 6-Chloro-N-(2-methoxyphenyl)pyridazin-3-amine |
title_short | 6-Chloro-N-(2-methoxyphenyl)pyridazin-3-amine |
title_sort | 6-chloro-n-(2-methoxyphenyl)pyridazin-3-amine |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3275194/ https://www.ncbi.nlm.nih.gov/pubmed/22347050 http://dx.doi.org/10.1107/S1600536812001535 |
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