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(E)-N-(4-{[1-(Prop-2-en-1-yl)-1H-1,2,3-triazol-4-yl]methoxy}benzylidene)morpholin-4-amine
The asymmetric unit of the title compound, C(17)H(21)N(5)O(2), contains two crystallographically independent molecules, which are linked by a C—H⋯N hydrogen bond. The morpholine rings of both molecules adopt distorted chair conformations. The dihedral angles between the triazole and benzene rings...
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/PMC3998471/ https://www.ncbi.nlm.nih.gov/pubmed/24764998 http://dx.doi.org/10.1107/S1600536814002827 |
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author | Akkurt, Mehmet Jarrahpour, Aliasghar Chermahini, Mehdi Mohammadi Shiri, Pezhman Özdemir, Namık |
author_facet | Akkurt, Mehmet Jarrahpour, Aliasghar Chermahini, Mehdi Mohammadi Shiri, Pezhman Özdemir, Namık |
author_sort | Akkurt, Mehmet |
collection | PubMed |
description | The asymmetric unit of the title compound, C(17)H(21)N(5)O(2), contains two crystallographically independent molecules, which are linked by a C—H⋯N hydrogen bond. The morpholine rings of both molecules adopt distorted chair conformations. The dihedral angles between the triazole and benzene rings are 12.8 (3)° in the first independent molecule in which the –N=C– group between the morpholine and benzene rings is disordered [site-occupancy ratio = 0.576 (7):0.424 (7)] and 88.1 (2)° in the second independent molecule. In the crystal, molecules are linked by C—H⋯N hydrogen bonds along the [100] direction. In addition, one weak C—H⋯π interaction and two weak π–π stacking interactions [centroid–centroid distances = 3.840 (3) and 3.823 (2) Å] between the triazole rings of adjacent molecules are observed. The atoms of the terminal propenyl groups in both molecules are disordered over two sets of sites [site-occupancy ratios = 0.691 (10):0.309 (10) and 0.705 (15):0.295 (15)]. |
format | Online Article Text |
id | pubmed-3998471 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-39984712014-04-24 (E)-N-(4-{[1-(Prop-2-en-1-yl)-1H-1,2,3-triazol-4-yl]methoxy}benzylidene)morpholin-4-amine Akkurt, Mehmet Jarrahpour, Aliasghar Chermahini, Mehdi Mohammadi Shiri, Pezhman Özdemir, Namık Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(17)H(21)N(5)O(2), contains two crystallographically independent molecules, which are linked by a C—H⋯N hydrogen bond. The morpholine rings of both molecules adopt distorted chair conformations. The dihedral angles between the triazole and benzene rings are 12.8 (3)° in the first independent molecule in which the –N=C– group between the morpholine and benzene rings is disordered [site-occupancy ratio = 0.576 (7):0.424 (7)] and 88.1 (2)° in the second independent molecule. In the crystal, molecules are linked by C—H⋯N hydrogen bonds along the [100] direction. In addition, one weak C—H⋯π interaction and two weak π–π stacking interactions [centroid–centroid distances = 3.840 (3) and 3.823 (2) Å] between the triazole rings of adjacent molecules are observed. The atoms of the terminal propenyl groups in both molecules are disordered over two sets of sites [site-occupancy ratios = 0.691 (10):0.309 (10) and 0.705 (15):0.295 (15)]. International Union of Crystallography 2014-02-12 /pmc/articles/PMC3998471/ /pubmed/24764998 http://dx.doi.org/10.1107/S1600536814002827 Text en © Akkurt 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 | Organic Papers Akkurt, Mehmet Jarrahpour, Aliasghar Chermahini, Mehdi Mohammadi Shiri, Pezhman Özdemir, Namık (E)-N-(4-{[1-(Prop-2-en-1-yl)-1H-1,2,3-triazol-4-yl]methoxy}benzylidene)morpholin-4-amine |
title | (E)-N-(4-{[1-(Prop-2-en-1-yl)-1H-1,2,3-triazol-4-yl]methoxy}benzylidene)morpholin-4-amine |
title_full | (E)-N-(4-{[1-(Prop-2-en-1-yl)-1H-1,2,3-triazol-4-yl]methoxy}benzylidene)morpholin-4-amine |
title_fullStr | (E)-N-(4-{[1-(Prop-2-en-1-yl)-1H-1,2,3-triazol-4-yl]methoxy}benzylidene)morpholin-4-amine |
title_full_unstemmed | (E)-N-(4-{[1-(Prop-2-en-1-yl)-1H-1,2,3-triazol-4-yl]methoxy}benzylidene)morpholin-4-amine |
title_short | (E)-N-(4-{[1-(Prop-2-en-1-yl)-1H-1,2,3-triazol-4-yl]methoxy}benzylidene)morpholin-4-amine |
title_sort | (e)-n-(4-{[1-(prop-2-en-1-yl)-1h-1,2,3-triazol-4-yl]methoxy}benzylidene)morpholin-4-amine |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998471/ https://www.ncbi.nlm.nih.gov/pubmed/24764998 http://dx.doi.org/10.1107/S1600536814002827 |
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