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Nicotinaldehyde [2,8-bis(trifluoromethyl)quinolin-4-yl]hydrazone monohydrate
In the title compound, C(17)H(10)F(6)N(4)·H(2)O, the pyridine ring is not coplanar with the quinoline ring system; the dihedral angle between the two planes is 21.3 (1)°. One of the trifluoromethyl group is disordered over two orientations with occupancies of 0.70 (1) and 0.30 (1). The water molec...
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/PMC3007871/ https://www.ncbi.nlm.nih.gov/pubmed/21588605 http://dx.doi.org/10.1107/S1600536810030862 |
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author | Devarajegowda, H. C. Vepuri, Suresh Babu VinduVahini, M. Kavitha, H. D. Arunkashi, H. K. |
author_facet | Devarajegowda, H. C. Vepuri, Suresh Babu VinduVahini, M. Kavitha, H. D. Arunkashi, H. K. |
author_sort | Devarajegowda, H. C. |
collection | PubMed |
description | In the title compound, C(17)H(10)F(6)N(4)·H(2)O, the pyridine ring is not coplanar with the quinoline ring system; the dihedral angle between the two planes is 21.3 (1)°. One of the trifluoromethyl group is disordered over two orientations with occupancies of 0.70 (1) and 0.30 (1). The water molecule is disordered over two positions with occupancies of 0.76 (1) and 0.24 (1). In the crystal, the water molecule is linked to the main molecule via N—H⋯O and C—H⋯O hydrogen bonds, and inversion-related pairs are linked via O—H⋯N hydrogen bonds. In addition, a weak π–π interaction is observed between the pyridine ring and the pyridine ring of the quinoline unit, with a centroid–centroid distance of 3.650 (2) Å. |
format | Text |
id | pubmed-3007871 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30078712010-12-30 Nicotinaldehyde [2,8-bis(trifluoromethyl)quinolin-4-yl]hydrazone monohydrate Devarajegowda, H. C. Vepuri, Suresh Babu VinduVahini, M. Kavitha, H. D. Arunkashi, H. K. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(17)H(10)F(6)N(4)·H(2)O, the pyridine ring is not coplanar with the quinoline ring system; the dihedral angle between the two planes is 21.3 (1)°. One of the trifluoromethyl group is disordered over two orientations with occupancies of 0.70 (1) and 0.30 (1). The water molecule is disordered over two positions with occupancies of 0.76 (1) and 0.24 (1). In the crystal, the water molecule is linked to the main molecule via N—H⋯O and C—H⋯O hydrogen bonds, and inversion-related pairs are linked via O—H⋯N hydrogen bonds. In addition, a weak π–π interaction is observed between the pyridine ring and the pyridine ring of the quinoline unit, with a centroid–centroid distance of 3.650 (2) Å. International Union of Crystallography 2010-08-11 /pmc/articles/PMC3007871/ /pubmed/21588605 http://dx.doi.org/10.1107/S1600536810030862 Text en © Devarajegowda 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 Devarajegowda, H. C. Vepuri, Suresh Babu VinduVahini, M. Kavitha, H. D. Arunkashi, H. K. Nicotinaldehyde [2,8-bis(trifluoromethyl)quinolin-4-yl]hydrazone monohydrate |
title | Nicotinaldehyde [2,8-bis(trifluoromethyl)quinolin-4-yl]hydrazone monohydrate |
title_full | Nicotinaldehyde [2,8-bis(trifluoromethyl)quinolin-4-yl]hydrazone monohydrate |
title_fullStr | Nicotinaldehyde [2,8-bis(trifluoromethyl)quinolin-4-yl]hydrazone monohydrate |
title_full_unstemmed | Nicotinaldehyde [2,8-bis(trifluoromethyl)quinolin-4-yl]hydrazone monohydrate |
title_short | Nicotinaldehyde [2,8-bis(trifluoromethyl)quinolin-4-yl]hydrazone monohydrate |
title_sort | nicotinaldehyde [2,8-bis(trifluoromethyl)quinolin-4-yl]hydrazone monohydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007871/ https://www.ncbi.nlm.nih.gov/pubmed/21588605 http://dx.doi.org/10.1107/S1600536810030862 |
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