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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) =...

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Autores principales: Akkurt, Mehmet, Karaca, Selvi, Ermut, Görkem, Karalı, Nilgün, Büyükgüngör, Orhan
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
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.
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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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