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Crystal structure of methyl 1-methyl-2-oxospiro[indoline-3,2′-oxirane]-3′-carboxylate
In the title compound, C(12)H(11)NO(4), the dihedral angle between the indole ring system (r.m.s. deviation = 0.019 Å) and the oxirane ring is 88.8 (2)°. The oxirane O atom and the bridging ester O atom are in an approximate syn conformation [O—C—C—O = −25.4 (3)°] In the crystal, inversion dimers li...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420098/ https://www.ncbi.nlm.nih.gov/pubmed/25995901 http://dx.doi.org/10.1107/S2056989015006398 |
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author | Savithri, M. P. Yuvaraj, P. S. Reddy, B. S. R. Raja, R. SubbiahPandi, A. |
author_facet | Savithri, M. P. Yuvaraj, P. S. Reddy, B. S. R. Raja, R. SubbiahPandi, A. |
author_sort | Savithri, M. P. |
collection | PubMed |
description | In the title compound, C(12)H(11)NO(4), the dihedral angle between the indole ring system (r.m.s. deviation = 0.019 Å) and the oxirane ring is 88.8 (2)°. The oxirane O atom and the bridging ester O atom are in an approximate syn conformation [O—C—C—O = −25.4 (3)°] In the crystal, inversion dimers linked by pair of C—H⋯O hydrogen bonds generate R (2) (2)(8) loops, where the C—H donor group forms part of the oxirane ring. A second C—H⋯O interaction arising from one of the C—H groups of the benzene ring links the dimers into [001] double chains. |
format | Online Article Text |
id | pubmed-4420098 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-44200982015-05-20 Crystal structure of methyl 1-methyl-2-oxospiro[indoline-3,2′-oxirane]-3′-carboxylate Savithri, M. P. Yuvaraj, P. S. Reddy, B. S. R. Raja, R. SubbiahPandi, A. Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(12)H(11)NO(4), the dihedral angle between the indole ring system (r.m.s. deviation = 0.019 Å) and the oxirane ring is 88.8 (2)°. The oxirane O atom and the bridging ester O atom are in an approximate syn conformation [O—C—C—O = −25.4 (3)°] In the crystal, inversion dimers linked by pair of C—H⋯O hydrogen bonds generate R (2) (2)(8) loops, where the C—H donor group forms part of the oxirane ring. A second C—H⋯O interaction arising from one of the C—H groups of the benzene ring links the dimers into [001] double chains. International Union of Crystallography 2015-04-02 /pmc/articles/PMC4420098/ /pubmed/25995901 http://dx.doi.org/10.1107/S2056989015006398 Text en © Savithri et al. 2015 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 | Data Reports Savithri, M. P. Yuvaraj, P. S. Reddy, B. S. R. Raja, R. SubbiahPandi, A. Crystal structure of methyl 1-methyl-2-oxospiro[indoline-3,2′-oxirane]-3′-carboxylate |
title | Crystal structure of methyl 1-methyl-2-oxospiro[indoline-3,2′-oxirane]-3′-carboxylate |
title_full | Crystal structure of methyl 1-methyl-2-oxospiro[indoline-3,2′-oxirane]-3′-carboxylate |
title_fullStr | Crystal structure of methyl 1-methyl-2-oxospiro[indoline-3,2′-oxirane]-3′-carboxylate |
title_full_unstemmed | Crystal structure of methyl 1-methyl-2-oxospiro[indoline-3,2′-oxirane]-3′-carboxylate |
title_short | Crystal structure of methyl 1-methyl-2-oxospiro[indoline-3,2′-oxirane]-3′-carboxylate |
title_sort | crystal structure of methyl 1-methyl-2-oxospiro[indoline-3,2′-oxirane]-3′-carboxylate |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420098/ https://www.ncbi.nlm.nih.gov/pubmed/25995901 http://dx.doi.org/10.1107/S2056989015006398 |
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