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2-(4-Methoxyphenyl)-6-trifluoromethyl-1H-pyrrolo[3,2-c]quinoline monohydrate
In the title compound, C(19)H(13)F(3)N(2)O·H(2)O, the phenyl and pyrroloquinoline ring system are close to coplanar [dihedral angle = 10.94 (4)°]. The methoxy group also is almost coplanar with the phenyl ring [5.4 (1)°]. In the crystal structure N—H⋯O(water) and water–quinoline O—H⋯N hydrogen bond...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979020/ https://www.ncbi.nlm.nih.gov/pubmed/21579163 http://dx.doi.org/10.1107/S1600536810013644 |
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author | Dutkiewicz, Grzegorz Mayekar, Anil N. Yathirajan, H. S. Narayana, B. Kubicki, Maciej |
author_facet | Dutkiewicz, Grzegorz Mayekar, Anil N. Yathirajan, H. S. Narayana, B. Kubicki, Maciej |
author_sort | Dutkiewicz, Grzegorz |
collection | PubMed |
description | In the title compound, C(19)H(13)F(3)N(2)O·H(2)O, the phenyl and pyrroloquinoline ring system are close to coplanar [dihedral angle = 10.94 (4)°]. The methoxy group also is almost coplanar with the phenyl ring [5.4 (1)°]. In the crystal structure N—H⋯O(water) and water–quinoline O—H⋯N hydrogen bonds build up a supramolecular chain-like arrangement along [001]. The remaining H atom of the water molecule does not take part in classical hydrogen bonds. Instead, this O—H bond points toward the center of the phenyl ring of a neighbouring molecule. Weak C—H⋯O and C—H⋯π interactions are also present. |
format | Text |
id | pubmed-2979020 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29790202010-12-30 2-(4-Methoxyphenyl)-6-trifluoromethyl-1H-pyrrolo[3,2-c]quinoline monohydrate Dutkiewicz, Grzegorz Mayekar, Anil N. Yathirajan, H. S. Narayana, B. Kubicki, Maciej Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(19)H(13)F(3)N(2)O·H(2)O, the phenyl and pyrroloquinoline ring system are close to coplanar [dihedral angle = 10.94 (4)°]. The methoxy group also is almost coplanar with the phenyl ring [5.4 (1)°]. In the crystal structure N—H⋯O(water) and water–quinoline O—H⋯N hydrogen bonds build up a supramolecular chain-like arrangement along [001]. The remaining H atom of the water molecule does not take part in classical hydrogen bonds. Instead, this O—H bond points toward the center of the phenyl ring of a neighbouring molecule. Weak C—H⋯O and C—H⋯π interactions are also present. International Union of Crystallography 2010-04-17 /pmc/articles/PMC2979020/ /pubmed/21579163 http://dx.doi.org/10.1107/S1600536810013644 Text en © Dutkiewicz et al. 2010 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 Dutkiewicz, Grzegorz Mayekar, Anil N. Yathirajan, H. S. Narayana, B. Kubicki, Maciej 2-(4-Methoxyphenyl)-6-trifluoromethyl-1H-pyrrolo[3,2-c]quinoline monohydrate |
title | 2-(4-Methoxyphenyl)-6-trifluoromethyl-1H-pyrrolo[3,2-c]quinoline monohydrate |
title_full | 2-(4-Methoxyphenyl)-6-trifluoromethyl-1H-pyrrolo[3,2-c]quinoline monohydrate |
title_fullStr | 2-(4-Methoxyphenyl)-6-trifluoromethyl-1H-pyrrolo[3,2-c]quinoline monohydrate |
title_full_unstemmed | 2-(4-Methoxyphenyl)-6-trifluoromethyl-1H-pyrrolo[3,2-c]quinoline monohydrate |
title_short | 2-(4-Methoxyphenyl)-6-trifluoromethyl-1H-pyrrolo[3,2-c]quinoline monohydrate |
title_sort | 2-(4-methoxyphenyl)-6-trifluoromethyl-1h-pyrrolo[3,2-c]quinoline monohydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979020/ https://www.ncbi.nlm.nih.gov/pubmed/21579163 http://dx.doi.org/10.1107/S1600536810013644 |
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