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2-[(1Z)-(9-Ethyl-9H-carbazol-3-yl)methyleneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile–benzene (2/1)
In the title compound, 2C(24)H(21)N(3)S·C(6)H(6), the two independent Schiff base molecules (A and B) in the asymmetric unit differ in the orientation of the tetrahydrobenzothiophene ring system with respect to the carbazole ring system by 180° rotation about the C—C bond in the C—C=N—C linkage....
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/PMC2979233/ https://www.ncbi.nlm.nih.gov/pubmed/21579233 http://dx.doi.org/10.1107/S1600536810014947 |
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author | Fun, Hoong-Kun Goh, Jia Hao Asiri, Abdullah M. Khan, Salman A. Khan, Khalid A. |
author_facet | Fun, Hoong-Kun Goh, Jia Hao Asiri, Abdullah M. Khan, Salman A. Khan, Khalid A. |
author_sort | Fun, Hoong-Kun |
collection | PubMed |
description | In the title compound, 2C(24)H(21)N(3)S·C(6)H(6), the two independent Schiff base molecules (A and B) in the asymmetric unit differ in the orientation of the tetrahydrobenzothiophene ring system with respect to the carbazole ring system by 180° rotation about the C—C bond in the C—C=N—C linkage. The two molecules also differ in the orientation of the ethyl groups [C—N—C—C torsion angle of 90.7 (3)° in molecule A, and −79.4 (3)° in molecule B]. In molecule B, two methylene C atoms of the cyclohexene ring are disordered over two sites with occupancies of 0.58 (1) and 0.42 (1). The cyclohexene rings in both molecules adopt half-chair conformations. The dihedral angle between the thiophene ring and the carbazole ring system is 8.07 (9)° in molecule A [3.10 (9)° in molecule B]. In the crystal structure, the independent molecules are linked into dimers by intermolecular C—H⋯N hydrogen bonds. In addition, C—H⋯π interactions are observed. |
format | Text |
id | pubmed-2979233 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29792332010-12-30 2-[(1Z)-(9-Ethyl-9H-carbazol-3-yl)methyleneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile–benzene (2/1) Fun, Hoong-Kun Goh, Jia Hao Asiri, Abdullah M. Khan, Salman A. Khan, Khalid A. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, 2C(24)H(21)N(3)S·C(6)H(6), the two independent Schiff base molecules (A and B) in the asymmetric unit differ in the orientation of the tetrahydrobenzothiophene ring system with respect to the carbazole ring system by 180° rotation about the C—C bond in the C—C=N—C linkage. The two molecules also differ in the orientation of the ethyl groups [C—N—C—C torsion angle of 90.7 (3)° in molecule A, and −79.4 (3)° in molecule B]. In molecule B, two methylene C atoms of the cyclohexene ring are disordered over two sites with occupancies of 0.58 (1) and 0.42 (1). The cyclohexene rings in both molecules adopt half-chair conformations. The dihedral angle between the thiophene ring and the carbazole ring system is 8.07 (9)° in molecule A [3.10 (9)° in molecule B]. In the crystal structure, the independent molecules are linked into dimers by intermolecular C—H⋯N hydrogen bonds. In addition, C—H⋯π interactions are observed. International Union of Crystallography 2010-04-28 /pmc/articles/PMC2979233/ /pubmed/21579233 http://dx.doi.org/10.1107/S1600536810014947 Text en © Fun 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 Fun, Hoong-Kun Goh, Jia Hao Asiri, Abdullah M. Khan, Salman A. Khan, Khalid A. 2-[(1Z)-(9-Ethyl-9H-carbazol-3-yl)methyleneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile–benzene (2/1) |
title | 2-[(1Z)-(9-Ethyl-9H-carbazol-3-yl)methyleneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile–benzene (2/1) |
title_full | 2-[(1Z)-(9-Ethyl-9H-carbazol-3-yl)methyleneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile–benzene (2/1) |
title_fullStr | 2-[(1Z)-(9-Ethyl-9H-carbazol-3-yl)methyleneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile–benzene (2/1) |
title_full_unstemmed | 2-[(1Z)-(9-Ethyl-9H-carbazol-3-yl)methyleneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile–benzene (2/1) |
title_short | 2-[(1Z)-(9-Ethyl-9H-carbazol-3-yl)methyleneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile–benzene (2/1) |
title_sort | 2-[(1z)-(9-ethyl-9h-carbazol-3-yl)methyleneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile–benzene (2/1) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979233/ https://www.ncbi.nlm.nih.gov/pubmed/21579233 http://dx.doi.org/10.1107/S1600536810014947 |
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