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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...
Autores principales: | , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2009
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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]. |
format | Text |
id | pubmed-2969702 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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