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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...

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Autores principales: Akkurt, Mehmet, Jarrahpour, Aliasghar, Chermahini, Mehdi Mohammadi, Shiri, Pezhman, Özdemir, Namık
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
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)].
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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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