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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...

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Autores principales: Devarajegowda, H. C., Vepuri, Suresh Babu, VinduVahini, M., Kavitha, H. D., Arunkashi, H. K.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
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.
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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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