Crystal structure of methyl (E)-2-(1-methyl-2-oxoindolin-3-ylidene)acetate
The title compound, C12H11NO3, is essentially planar, with the mean plane of the acetate side chain [–C—C(=O)—O—C] being inclined to the mean plane of the indole ring system by 12.49 (7)°. The five- and six-membered rings of the indole group are almost coplanar, making a dihedral angle of 1.76 (8)°....
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2015-03-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989015003217 |
| _version_ | 1819003502148452352 |
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| author | M. P. Savithri P. S. Yuvaraj B. S. R. Reddy R. Raja A. SubbiahPandi |
| author_facet | M. P. Savithri P. S. Yuvaraj B. S. R. Reddy R. Raja A. SubbiahPandi |
| author_sort | M. P. Savithri |
| collection | DOAJ |
| description | The title compound, C12H11NO3, is essentially planar, with the mean plane of the acetate side chain [–C—C(=O)—O—C] being inclined to the mean plane of the indole ring system by 12.49 (7)°. The five- and six-membered rings of the indole group are almost coplanar, making a dihedral angle of 1.76 (8)°. The conformation about the C=C bond is E and there is an intramolecular C—H...O hydrogen bond present. In the crystal, molecules are linked by pairs of C—H...O hydrogen bonds forming inversion dimers, with an R22(16) ring motif. The dimers are linked by a second pair of C—H...O hydrogen bonds, enclosing R22(16) ring motifs, forming ribbons lying parallel to (-114). The ribbons are linked via C—H...π interactions, forming a three-dimensional structure. |
| first_indexed | 2024-12-20T23:22:01Z |
| format | Article |
| id | doaj.art-93c4fe432f3d4c27baaaa337d9c1053b |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-12-20T23:22:01Z |
| publishDate | 2015-03-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-93c4fe432f3d4c27baaaa337d9c1053b2022-12-21T19:23:29ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902015-03-01713o188o18910.1107/S2056989015003217su5085Crystal structure of methyl (E)-2-(1-methyl-2-oxoindolin-3-ylidene)acetateM. P. Savithri0P. S. Yuvaraj1B. S. R. Reddy2R. Raja3A. SubbiahPandi4Department of Physics, Queen Mary's College (Autonomous), Chennai 600 004, IndiaUniversity of Madras, Industrial Chemistry Laboratory, Central Leather Research Institute, Adyar, Chennai 600 020, IndiaUniversity of Madras, Industrial Chemistry Laboratory, Central Leather Research Institute, Adyar, Chennai 600 020, IndiaDepartment of Physics, Presidency College (Autonomous), Chennai 600 005, IndiaDepartment of Physics, Presidency College (Autonomous), Chennai 600 005, IndiaThe title compound, C12H11NO3, is essentially planar, with the mean plane of the acetate side chain [–C—C(=O)—O—C] being inclined to the mean plane of the indole ring system by 12.49 (7)°. The five- and six-membered rings of the indole group are almost coplanar, making a dihedral angle of 1.76 (8)°. The conformation about the C=C bond is E and there is an intramolecular C—H...O hydrogen bond present. In the crystal, molecules are linked by pairs of C—H...O hydrogen bonds forming inversion dimers, with an R22(16) ring motif. The dimers are linked by a second pair of C—H...O hydrogen bonds, enclosing R22(16) ring motifs, forming ribbons lying parallel to (-114). The ribbons are linked via C—H...π interactions, forming a three-dimensional structure.http://scripts.iucr.org/cgi-bin/paper?S2056989015003217crystal structureindole3-substituted indolesC—H...O hydrogen bondsC—H...π interactionsπ–π stacking interactions |
| spellingShingle | M. P. Savithri P. S. Yuvaraj B. S. R. Reddy R. Raja A. SubbiahPandi Crystal structure of methyl (E)-2-(1-methyl-2-oxoindolin-3-ylidene)acetate Acta Crystallographica Section E: Crystallographic Communications crystal structure indole 3-substituted indoles C—H...O hydrogen bonds C—H...π interactions π–π stacking interactions |
| title | Crystal structure of methyl (E)-2-(1-methyl-2-oxoindolin-3-ylidene)acetate |
| title_full | Crystal structure of methyl (E)-2-(1-methyl-2-oxoindolin-3-ylidene)acetate |
| title_fullStr | Crystal structure of methyl (E)-2-(1-methyl-2-oxoindolin-3-ylidene)acetate |
| title_full_unstemmed | Crystal structure of methyl (E)-2-(1-methyl-2-oxoindolin-3-ylidene)acetate |
| title_short | Crystal structure of methyl (E)-2-(1-methyl-2-oxoindolin-3-ylidene)acetate |
| title_sort | crystal structure of methyl e 2 1 methyl 2 oxoindolin 3 ylidene acetate |
| topic | crystal structure indole 3-substituted indoles C—H...O hydrogen bonds C—H...π interactions π–π stacking interactions |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989015003217 |
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