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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International Union of Crystallography
2016
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ump-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 |
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Local University |
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Universiti Malaysia Pahang |
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UMP Institutional Repository |
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Online Access |
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English English |
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QD Chemistry |
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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/ http://umpir.ump.edu.my/id/eprint/12798/ http://umpir.ump.edu.my/id/eprint/12798/ 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 |
| first_indexed |
2023-09-18T22:14:43Z |
| last_indexed |
2023-09-18T22:14:43Z |
| _version_ |
1777415260609708032 |