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, 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...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2016
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| Online Access: | http://eprints.usm.my/38584/ http://eprints.usm.my/38584/1/Crystal_structure_of_3-%7B5-%5B3-%284-fluorophenyl%29-1-.pdf |
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| author | Rahman, Md. Lutfor Kulkarni, Ajaykumar D. Mohd. Yusoff, Mashitah Huey, Chong Kwong Ching, Kheng Quah |
| author_facet | Rahman, Md. Lutfor Kulkarni, Ajaykumar D. Mohd. Yusoff, Mashitah Huey, Chong Kwong Ching, Kheng Quah |
| author_sort | Rahman, Md. Lutfor |
| building | USM Institutional Repository |
| collection | Online Access |
| 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 ° ]. |
| first_indexed | 2025-11-15T17:32:29Z |
| format | Article |
| id | usm-38584 |
| institution | Universiti Sains Malaysia |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-15T17:32:29Z |
| publishDate | 2016 |
| publisher | International Union of Crystallography |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | usm-385842018-01-26T08:58:21Z http://eprints.usm.my/38584/ 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 Huey, Chong Kwong Ching, Kheng Quah QC1-999 Physics QD1-999 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://eprints.usm.my/38584/1/Crystal_structure_of_3-%7B5-%5B3-%284-fluorophenyl%29-1-.pdf Rahman, Md. Lutfor and Kulkarni, Ajaykumar D. and Mohd. Yusoff, Mashitah and Huey, Chong Kwong and Ching, Kheng Quah (2016) Crystal structure of 3-{5-[3-(4-fluorophenyl)-1- isopropyl-1H-indol-2-yl]-1H-pyrazol-1-yl}indolin-2- one ethanol monosolvate. Acta Crystallographica Section E: Crystallographic Communications, 72. pp. 283-286. ISSN 2056-9890 http://dx.doi.org/10.1107/S2056989016001614 |
| spellingShingle | QC1-999 Physics QD1-999 Chemistry Rahman, Md. Lutfor Kulkarni, Ajaykumar D. Mohd. Yusoff, Mashitah Huey, Chong Kwong Ching, Kheng Quah 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 | QC1-999 Physics QD1-999 Chemistry |
| url | http://eprints.usm.my/38584/ http://eprints.usm.my/38584/ http://eprints.usm.my/38584/1/Crystal_structure_of_3-%7B5-%5B3-%284-fluorophenyl%29-1-.pdf |