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Crystal structure and theoretical study of N,N-bis­[(5-chloro-2-oxo-2,3-di­hydro­benzo[d]oxazol-3-yl)meth­yl]-2-phenyl­ethanamine

In the mol­ecular structure of the title compound, C(24)H(19)Cl(2)N(3)O(4), the three C atoms of the central N,N-di­methyl­methanamine moiety are bonded to the N atoms of the two 5-chloro-1,3-benzoxazol-2(3H)-one groups and to the methyl C atom of the methyl­benzene group. One of the nine-membered 2...

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Autores principales: Aydın, Abdullah, Soyer, Zeynep, Akkurt, Mehmet, Büyükgüngör, Orhan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947503/
https://www.ncbi.nlm.nih.gov/pubmed/29850107
http://dx.doi.org/10.1107/S2056989018005984
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author Aydın, Abdullah
Soyer, Zeynep
Akkurt, Mehmet
Büyükgüngör, Orhan
author_facet Aydın, Abdullah
Soyer, Zeynep
Akkurt, Mehmet
Büyükgüngör, Orhan
author_sort Aydın, Abdullah
collection PubMed
description In the mol­ecular structure of the title compound, C(24)H(19)Cl(2)N(3)O(4), the three C atoms of the central N,N-di­methyl­methanamine moiety are bonded to the N atoms of the two 5-chloro-1,3-benzoxazol-2(3H)-one groups and to the methyl C atom of the methyl­benzene group. One of the nine-membered 2,3-di­hydro-1,3-benzoxazole rings and the phenyl ring are almost parallel to each other, making a dihedral angle of 5.30 (18)°, but they are almost normal to the mean plane of the other nine-membered 2,3-di­hydro-1,3-benzoxazole ring, subtending dihedral angles of 89.29 (16) and 85.41 (18)°, respectively. The crystal structure features C—H⋯O hydrogen bonds and π–π stacking inter­actions [centroid-to-centroid distances = 3.5788 (19) Å, slippage = 0.438 and 3.7773 (16) Å, and slippage = 0.716 Å].
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spelling pubmed-59475032018-05-30 Crystal structure and theoretical study of N,N-bis­[(5-chloro-2-oxo-2,3-di­hydro­benzo[d]oxazol-3-yl)meth­yl]-2-phenyl­ethanamine Aydın, Abdullah Soyer, Zeynep Akkurt, Mehmet Büyükgüngör, Orhan Acta Crystallogr E Crystallogr Commun Research Communications In the mol­ecular structure of the title compound, C(24)H(19)Cl(2)N(3)O(4), the three C atoms of the central N,N-di­methyl­methanamine moiety are bonded to the N atoms of the two 5-chloro-1,3-benzoxazol-2(3H)-one groups and to the methyl C atom of the methyl­benzene group. One of the nine-membered 2,3-di­hydro-1,3-benzoxazole rings and the phenyl ring are almost parallel to each other, making a dihedral angle of 5.30 (18)°, but they are almost normal to the mean plane of the other nine-membered 2,3-di­hydro-1,3-benzoxazole ring, subtending dihedral angles of 89.29 (16) and 85.41 (18)°, respectively. The crystal structure features C—H⋯O hydrogen bonds and π–π stacking inter­actions [centroid-to-centroid distances = 3.5788 (19) Å, slippage = 0.438 and 3.7773 (16) Å, and slippage = 0.716 Å]. International Union of Crystallography 2018-04-27 /pmc/articles/PMC5947503/ /pubmed/29850107 http://dx.doi.org/10.1107/S2056989018005984 Text en © Aydın et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Aydın, Abdullah
Soyer, Zeynep
Akkurt, Mehmet
Büyükgüngör, Orhan
Crystal structure and theoretical study of N,N-bis­[(5-chloro-2-oxo-2,3-di­hydro­benzo[d]oxazol-3-yl)meth­yl]-2-phenyl­ethanamine
title Crystal structure and theoretical study of N,N-bis­[(5-chloro-2-oxo-2,3-di­hydro­benzo[d]oxazol-3-yl)meth­yl]-2-phenyl­ethanamine
title_full Crystal structure and theoretical study of N,N-bis­[(5-chloro-2-oxo-2,3-di­hydro­benzo[d]oxazol-3-yl)meth­yl]-2-phenyl­ethanamine
title_fullStr Crystal structure and theoretical study of N,N-bis­[(5-chloro-2-oxo-2,3-di­hydro­benzo[d]oxazol-3-yl)meth­yl]-2-phenyl­ethanamine
title_full_unstemmed Crystal structure and theoretical study of N,N-bis­[(5-chloro-2-oxo-2,3-di­hydro­benzo[d]oxazol-3-yl)meth­yl]-2-phenyl­ethanamine
title_short Crystal structure and theoretical study of N,N-bis­[(5-chloro-2-oxo-2,3-di­hydro­benzo[d]oxazol-3-yl)meth­yl]-2-phenyl­ethanamine
title_sort crystal structure and theoretical study of n,n-bis­[(5-chloro-2-oxo-2,3-di­hydro­benzo[d]oxazol-3-yl)meth­yl]-2-phenyl­ethanamine
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947503/
https://www.ncbi.nlm.nih.gov/pubmed/29850107
http://dx.doi.org/10.1107/S2056989018005984
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