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Dimethyl [(4-fluoro­phen­yl)(6-methoxy­benzothia­zol-2-ylamino)meth­yl]phospho­nate

In the mol­ecule of title compound, C(17)H(18)FN(2)O(4)PS, both the benzene ring with its conjunction C atom and the benzothia­zole ring with its conjunction N atom are close to planar (the maximum deviations are 0.0267 and 0.0427 Å for the benzene and benzothiazole rings, respectively), the dihedra...

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Autores principales: Hong, Yan-Ping, Song, Bao-An, Shangguan, Xin-Chen
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969702/
https://www.ncbi.nlm.nih.gov/pubmed/21583070
http://dx.doi.org/10.1107/S1600536809015384
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author Hong, Yan-Ping
Song, Bao-An
Shangguan, Xin-Chen
author_facet Hong, Yan-Ping
Song, Bao-An
Shangguan, Xin-Chen
author_sort Hong, Yan-Ping
collection PubMed
description In the mol­ecule of title compound, C(17)H(18)FN(2)O(4)PS, both the benzene ring with its conjunction C atom and the benzothia­zole ring with its conjunction N atom are close to planar (the maximum deviations are 0.0267 and 0.0427 Å for the benzene and benzothiazole rings, respectively), the dihedral angle between the planes of the benzothia­zole and benzene rings is 119.05 (3)°. The mol­ecular packing is stabilized by inter­molecular N—H⋯O, C—H⋯N and C—H⋯F hydrogen bonding, and by C—H⋯π and π–π stacking inter­actions [centroid–centroid distances = 2.99 (2), 2.96 (3), 2.88 (2) and 3.773 (4) Å].
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spelling pubmed-29697022010-12-30 Dimethyl [(4-fluoro­phen­yl)(6-methoxy­benzothia­zol-2-ylamino)meth­yl]phospho­nate Hong, Yan-Ping Song, Bao-An Shangguan, Xin-Chen Acta Crystallogr Sect E Struct Rep Online Organic Papers In the mol­ecule of title compound, C(17)H(18)FN(2)O(4)PS, both the benzene ring with its conjunction C atom and the benzothia­zole ring with its conjunction N atom are close to planar (the maximum deviations are 0.0267 and 0.0427 Å for the benzene and benzothiazole rings, respectively), the dihedral angle between the planes of the benzothia­zole and benzene rings is 119.05 (3)°. The mol­ecular packing is stabilized by inter­molecular N—H⋯O, C—H⋯N and C—H⋯F hydrogen bonding, and by C—H⋯π and π–π stacking inter­actions [centroid–centroid distances = 2.99 (2), 2.96 (3), 2.88 (2) and 3.773 (4) Å]. International Union of Crystallography 2009-05-07 /pmc/articles/PMC2969702/ /pubmed/21583070 http://dx.doi.org/10.1107/S1600536809015384 Text en © Hong et al. 2009 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
Hong, Yan-Ping
Song, Bao-An
Shangguan, Xin-Chen
Dimethyl [(4-fluoro­phen­yl)(6-methoxy­benzothia­zol-2-ylamino)meth­yl]phospho­nate
title Dimethyl [(4-fluoro­phen­yl)(6-methoxy­benzothia­zol-2-ylamino)meth­yl]phospho­nate
title_full Dimethyl [(4-fluoro­phen­yl)(6-methoxy­benzothia­zol-2-ylamino)meth­yl]phospho­nate
title_fullStr Dimethyl [(4-fluoro­phen­yl)(6-methoxy­benzothia­zol-2-ylamino)meth­yl]phospho­nate
title_full_unstemmed Dimethyl [(4-fluoro­phen­yl)(6-methoxy­benzothia­zol-2-ylamino)meth­yl]phospho­nate
title_short Dimethyl [(4-fluoro­phen­yl)(6-methoxy­benzothia­zol-2-ylamino)meth­yl]phospho­nate
title_sort dimethyl [(4-fluoro­phen­yl)(6-methoxy­benzothia­zol-2-ylamino)meth­yl]phospho­nate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969702/
https://www.ncbi.nlm.nih.gov/pubmed/21583070
http://dx.doi.org/10.1107/S1600536809015384
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