Crystal structure of 3-{5-[3-(4-fluoro­phen­yl)-1-isopropyl-1H-indol-2-yl]-1H-pyrazol-1-yl}indolin-2-one ethanol monosolvate

The title indolin-2-one compound, C(28)H(23)FN(4)O·C(2)H(6)O, crystallizes as a 1:1 ethanol solvate. The ethanol mol­ecule is disordered over two positions with refined site occupancies of 0.560 (14) and 0.440 (14). The pyrazole ring makes dihedral angles of 84.16 (10) and 85.33 (9)° with the indoli...

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Autores principales: Rahman, Md. Lutfor, Kulkarni, Ajaykumar D., Mohd. Yusoff, Mashitah, Kwong, Huey Chong, Quah, Ching Kheng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4778816/
https://www.ncbi.nlm.nih.gov/pubmed/27006787
http://dx.doi.org/10.1107/S2056989016001614
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author Rahman, Md. Lutfor
Kulkarni, Ajaykumar D.
Mohd. Yusoff, Mashitah
Kwong, Huey Chong
Quah, Ching Kheng
author_facet Rahman, Md. Lutfor
Kulkarni, Ajaykumar D.
Mohd. Yusoff, Mashitah
Kwong, Huey Chong
Quah, Ching Kheng
author_sort Rahman, Md. Lutfor
collection PubMed
description The title indolin-2-one compound, C(28)H(23)FN(4)O·C(2)H(6)O, crystallizes as a 1:1 ethanol solvate. The ethanol mol­ecule is disordered over two positions with refined site occupancies of 0.560 (14) and 0.440 (14). The pyrazole ring makes dihedral angles of 84.16 (10) and 85.33 (9)° with the indolin-2-one and indole rings, respectively, whereas the dihedral angle between indolin-2-one and indole rings is 57.30 (7)°. In the crystal, the components are linked by N—H⋯O and O—H⋯O hydrogen bonds, forming an inversion mol­ecule–solvate 2:2 dimer with R (4) (4)(12) ring motifs. The crystal structure is consolidated by π–π inter­action between pairs of inversion-related indolin-2-one rings [inter­planar spacing = 3.599 (2) Å].
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spelling pubmed-47788162016-03-22 Crystal structure of 3-{5-[3-(4-fluoro­phen­yl)-1-isopropyl-1H-indol-2-yl]-1H-pyrazol-1-yl}indolin-2-one ethanol monosolvate Rahman, Md. Lutfor Kulkarni, Ajaykumar D. Mohd. Yusoff, Mashitah Kwong, Huey Chong Quah, Ching Kheng Acta Crystallogr E Crystallogr Commun Research Communications The title indolin-2-one compound, C(28)H(23)FN(4)O·C(2)H(6)O, crystallizes as a 1:1 ethanol solvate. The ethanol mol­ecule is disordered over two positions with refined site occupancies of 0.560 (14) and 0.440 (14). The pyrazole ring makes dihedral angles of 84.16 (10) and 85.33 (9)° with the indolin-2-one and indole rings, respectively, whereas the dihedral angle between indolin-2-one and indole rings is 57.30 (7)°. In the crystal, the components are linked by N—H⋯O and O—H⋯O hydrogen bonds, forming an inversion mol­ecule–solvate 2:2 dimer with R (4) (4)(12) ring motifs. The crystal structure is consolidated by π–π inter­action between pairs of inversion-related indolin-2-one rings [inter­planar spacing = 3.599 (2) Å]. International Union of Crystallography 2016-02-03 /pmc/articles/PMC4778816/ /pubmed/27006787 http://dx.doi.org/10.1107/S2056989016001614 Text en © Rahman et al. 2016 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 Research Communications
Rahman, Md. Lutfor
Kulkarni, Ajaykumar D.
Mohd. Yusoff, Mashitah
Kwong, Huey Chong
Quah, Ching Kheng
Crystal structure of 3-{5-[3-(4-fluoro­phen­yl)-1-isopropyl-1H-indol-2-yl]-1H-pyrazol-1-yl}indolin-2-one ethanol monosolvate
title Crystal structure of 3-{5-[3-(4-fluoro­phen­yl)-1-isopropyl-1H-indol-2-yl]-1H-pyrazol-1-yl}indolin-2-one ethanol monosolvate
title_full Crystal structure of 3-{5-[3-(4-fluoro­phen­yl)-1-isopropyl-1H-indol-2-yl]-1H-pyrazol-1-yl}indolin-2-one ethanol monosolvate
title_fullStr Crystal structure of 3-{5-[3-(4-fluoro­phen­yl)-1-isopropyl-1H-indol-2-yl]-1H-pyrazol-1-yl}indolin-2-one ethanol monosolvate
title_full_unstemmed Crystal structure of 3-{5-[3-(4-fluoro­phen­yl)-1-isopropyl-1H-indol-2-yl]-1H-pyrazol-1-yl}indolin-2-one ethanol monosolvate
title_short Crystal structure of 3-{5-[3-(4-fluoro­phen­yl)-1-isopropyl-1H-indol-2-yl]-1H-pyrazol-1-yl}indolin-2-one ethanol monosolvate
title_sort crystal structure of 3-{5-[3-(4-fluoro­phen­yl)-1-isopropyl-1h-indol-2-yl]-1h-pyrazol-1-yl}indolin-2-one ethanol monosolvate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4778816/
https://www.ncbi.nlm.nih.gov/pubmed/27006787
http://dx.doi.org/10.1107/S2056989016001614
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