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5-Chlorobenzothiazole-2-spiro-3′-indolin-2′-one
The title compound, C(14)H(9)ClN(2)OS, crystallizes with two unique molecules, A and B, in the asymmetric unit. The five-membered rings of the benzothiazole groups in both molecules adopt an envelope conformation [puckering parameters: q (2) = 0.242 (1) Å and ϕ(2) = 217.5 (4)° for A, and q (2) =...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979878/ https://www.ncbi.nlm.nih.gov/pubmed/21579820 http://dx.doi.org/10.1107/S1600536810001285 |
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author | Akkurt, Mehmet Karaca, Selvi Ermut, Görkem Karalı, Nilgün Büyükgüngör, Orhan |
author_facet | Akkurt, Mehmet Karaca, Selvi Ermut, Görkem Karalı, Nilgün Büyükgüngör, Orhan |
author_sort | Akkurt, Mehmet |
collection | PubMed |
description | The title compound, C(14)H(9)ClN(2)OS, crystallizes with two unique molecules, A and B, in the asymmetric unit. The five-membered rings of the benzothiazole groups in both molecules adopt an envelope conformation [puckering parameters: q (2) = 0.242 (1) Å and ϕ(2) = 217.5 (4)° for A, and q (2) = 0.234 (1) Å and ϕ(2) = 37.7 (4)° for B]. The five-membered rings of the indolinone groups in both molecules are also not planar, with a twisted conformation [puckering parameters are q (2) = 0.112 (2) Å and ϕ(2) = 126.3 (8)° for A, and q (2) = 0.108 (2) Å and ϕ(2) = 306.4 (9)° for B]. In the crystal structure, there are intermolecular N—H⋯O, N—H⋯S and C—H⋯O hydrogen-bonding interactions, forming the layers propagating normal to c. |
format | Text |
id | pubmed-2979878 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29798782010-12-30 5-Chlorobenzothiazole-2-spiro-3′-indolin-2′-one Akkurt, Mehmet Karaca, Selvi Ermut, Görkem Karalı, Nilgün Büyükgüngör, Orhan Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(14)H(9)ClN(2)OS, crystallizes with two unique molecules, A and B, in the asymmetric unit. The five-membered rings of the benzothiazole groups in both molecules adopt an envelope conformation [puckering parameters: q (2) = 0.242 (1) Å and ϕ(2) = 217.5 (4)° for A, and q (2) = 0.234 (1) Å and ϕ(2) = 37.7 (4)° for B]. The five-membered rings of the indolinone groups in both molecules are also not planar, with a twisted conformation [puckering parameters are q (2) = 0.112 (2) Å and ϕ(2) = 126.3 (8)° for A, and q (2) = 0.108 (2) Å and ϕ(2) = 306.4 (9)° for B]. In the crystal structure, there are intermolecular N—H⋯O, N—H⋯S and C—H⋯O hydrogen-bonding interactions, forming the layers propagating normal to c. International Union of Crystallography 2010-01-20 /pmc/articles/PMC2979878/ /pubmed/21579820 http://dx.doi.org/10.1107/S1600536810001285 Text en © Akkurt et al. 2010 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 | Organic Papers Akkurt, Mehmet Karaca, Selvi Ermut, Görkem Karalı, Nilgün Büyükgüngör, Orhan 5-Chlorobenzothiazole-2-spiro-3′-indolin-2′-one |
title | 5-Chlorobenzothiazole-2-spiro-3′-indolin-2′-one |
title_full | 5-Chlorobenzothiazole-2-spiro-3′-indolin-2′-one |
title_fullStr | 5-Chlorobenzothiazole-2-spiro-3′-indolin-2′-one |
title_full_unstemmed | 5-Chlorobenzothiazole-2-spiro-3′-indolin-2′-one |
title_short | 5-Chlorobenzothiazole-2-spiro-3′-indolin-2′-one |
title_sort | 5-chlorobenzothiazole-2-spiro-3′-indolin-2′-one |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979878/ https://www.ncbi.nlm.nih.gov/pubmed/21579820 http://dx.doi.org/10.1107/S1600536810001285 |
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