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

The title indolin-2-one compound, C28H23FN4O�C2H6O, 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...

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Main Authors: Lutfor, M. R., Kulkarni, Ajaykumar D., M. M., Yusoff, Huey, Chong Kwong, Ching, Kheng Quah
Format: Article
Language:English
English
Published: International Union of Crystallography 2016
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Online Access:http://umpir.ump.edu.my/id/eprint/12798/1/sendreprint_LR-3.pdf
http://umpir.ump.edu.my/id/eprint/12798/7/fist-2015-lutfor-crystal%20structure-part3.pdf
http://umpir.ump.edu.my/id/eprint/12798/
http://dx.doi.org/10.1107/S2056989016001614
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spelling my.ump.umpir.127982018-02-05T08:09:14Z http://umpir.ump.edu.my/id/eprint/12798/ Crystal Structure of 3-{5-[3-(4-fluorophenyl)-1-isopropyl-1Hindol-2-yl]-1H-pyrazol-1-yl}indolin-2-one ethanol monosolvate Lutfor, M. R. Kulkarni, Ajaykumar D. M. M., Yusoff Huey, Chong Kwong Ching, Kheng Quah QD Chemistry The title indolin-2-one compound, C28H23FN4O�C2H6O, 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 R4 4(12) ring motifs. The crystal structure is consolidated by �–� interaction between pairs of inversion-related indolin-2-one rings [interplanar spacing = 3.599 (2) A ˚ ]. International Union of Crystallography 2016 Article PeerReviewed application/pdf en http://umpir.ump.edu.my/id/eprint/12798/1/sendreprint_LR-3.pdf application/pdf en http://umpir.ump.edu.my/id/eprint/12798/7/fist-2015-lutfor-crystal%20structure-part3.pdf Lutfor, M. R. and Kulkarni, Ajaykumar D. and M. M., Yusoff and Huey, Chong Kwong and Ching, Kheng Quah (2016) Crystal Structure of 3-{5-[3-(4-fluorophenyl)-1-isopropyl-1Hindol-2-yl]-1H-pyrazol-1-yl}indolin-2-one ethanol monosolvate. Acta Crystallographica Section E: Crystallographic Communications, E72 (3). pp. 283-286. ISSN 2056-9890 http://dx.doi.org/10.1107/S2056989016001614 DOI: 10.1107/S2056989016001614
institution Universiti Malaysia Pahang
building UMP Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Malaysia Pahang
content_source UMP Institutional Repository
url_provider http://umpir.ump.edu.my/
language English
English
topic QD Chemistry
spellingShingle QD Chemistry
Lutfor, M. R.
Kulkarni, Ajaykumar D.
M. M., Yusoff
Huey, Chong Kwong
Ching, Kheng Quah
Crystal Structure of 3-{5-[3-(4-fluorophenyl)-1-isopropyl-1Hindol-2-yl]-1H-pyrazol-1-yl}indolin-2-one ethanol monosolvate
description The title indolin-2-one compound, C28H23FN4O�C2H6O, 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 R4 4(12) ring motifs. The crystal structure is consolidated by �–� interaction between pairs of inversion-related indolin-2-one rings [interplanar spacing = 3.599 (2) A ˚ ].
format Article
author Lutfor, M. R.
Kulkarni, Ajaykumar D.
M. M., Yusoff
Huey, Chong Kwong
Ching, Kheng Quah
author_facet Lutfor, M. R.
Kulkarni, Ajaykumar D.
M. M., Yusoff
Huey, Chong Kwong
Ching, Kheng Quah
author_sort Lutfor, M. R.
title Crystal Structure of 3-{5-[3-(4-fluorophenyl)-1-isopropyl-1Hindol-2-yl]-1H-pyrazol-1-yl}indolin-2-one ethanol monosolvate
title_short Crystal Structure of 3-{5-[3-(4-fluorophenyl)-1-isopropyl-1Hindol-2-yl]-1H-pyrazol-1-yl}indolin-2-one ethanol monosolvate
title_full Crystal Structure of 3-{5-[3-(4-fluorophenyl)-1-isopropyl-1Hindol-2-yl]-1H-pyrazol-1-yl}indolin-2-one ethanol monosolvate
title_fullStr Crystal Structure of 3-{5-[3-(4-fluorophenyl)-1-isopropyl-1Hindol-2-yl]-1H-pyrazol-1-yl}indolin-2-one ethanol monosolvate
title_full_unstemmed Crystal Structure of 3-{5-[3-(4-fluorophenyl)-1-isopropyl-1Hindol-2-yl]-1H-pyrazol-1-yl}indolin-2-one ethanol monosolvate
title_sort crystal structure of 3-{5-[3-(4-fluorophenyl)-1-isopropyl-1hindol-2-yl]-1h-pyrazol-1-yl}indolin-2-one ethanol monosolvate
publisher International Union of Crystallography
publishDate 2016
url http://umpir.ump.edu.my/id/eprint/12798/1/sendreprint_LR-3.pdf
http://umpir.ump.edu.my/id/eprint/12798/7/fist-2015-lutfor-crystal%20structure-part3.pdf
http://umpir.ump.edu.my/id/eprint/12798/
http://dx.doi.org/10.1107/S2056989016001614
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