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4′-Methyl-3-(4-nitrophenyl)-4-phenyl-4,5,1′,2′,3′,4′-hexahydrospiro[isoxazole-5,2′-naphthalen]-1′-one
The title compound, C(25)H(20)N(2)O(4), is a new spiro-isoxazoline derivative. It contains a five-membered isoxazoline ring (A), a tetralone unit (E and D), a 4-nitrophenyl substituent (B), and a phenyl ring (C). The isoxazoline ring (A) has an envelope conformation, while the cyclohexenone ring...
Autores principales: | , , , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2008
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960307/ https://www.ncbi.nlm.nih.gov/pubmed/21201529 http://dx.doi.org/10.1107/S1600536807066470 |
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author | Alhouari, Ghali Kerbal, Abdelali Larbi, Najib Ben Bennani, Brahim Hadda, Taibi Ben Stoeckli-Evans, Helen |
author_facet | Alhouari, Ghali Kerbal, Abdelali Larbi, Najib Ben Bennani, Brahim Hadda, Taibi Ben Stoeckli-Evans, Helen |
author_sort | Alhouari, Ghali |
collection | PubMed |
description | The title compound, C(25)H(20)N(2)O(4), is a new spiro-isoxazoline derivative. It contains a five-membered isoxazoline ring (A), a tetralone unit (E and D), a 4-nitrophenyl substituent (B), and a phenyl ring (C). The isoxazoline ring (A) has an envelope conformation, while the cyclohexenone ring (D) has an intermediate sofa/half-chair conformation. The aromatic ring of the 4-nitrophenyl substituent (B) is inclined at an angle of 78.97 (10)° to the phenyl ring (C). The rigid pharmacophore site, Osp (2)—C—C—Osp (3), is characterized by an O⋯O distance of 3.113 (2) Å and an O—C—C—O torsion angle of 97.8 (2)°. In the crystal structure, molecules are linked by C—H⋯O contacts. |
format | Text |
id | pubmed-2960307 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2008 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29603072010-12-30 4′-Methyl-3-(4-nitrophenyl)-4-phenyl-4,5,1′,2′,3′,4′-hexahydrospiro[isoxazole-5,2′-naphthalen]-1′-one Alhouari, Ghali Kerbal, Abdelali Larbi, Najib Ben Bennani, Brahim Hadda, Taibi Ben Stoeckli-Evans, Helen Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(25)H(20)N(2)O(4), is a new spiro-isoxazoline derivative. It contains a five-membered isoxazoline ring (A), a tetralone unit (E and D), a 4-nitrophenyl substituent (B), and a phenyl ring (C). The isoxazoline ring (A) has an envelope conformation, while the cyclohexenone ring (D) has an intermediate sofa/half-chair conformation. The aromatic ring of the 4-nitrophenyl substituent (B) is inclined at an angle of 78.97 (10)° to the phenyl ring (C). The rigid pharmacophore site, Osp (2)—C—C—Osp (3), is characterized by an O⋯O distance of 3.113 (2) Å and an O—C—C—O torsion angle of 97.8 (2)°. In the crystal structure, molecules are linked by C—H⋯O contacts. International Union of Crystallography 2008-01-23 /pmc/articles/PMC2960307/ /pubmed/21201529 http://dx.doi.org/10.1107/S1600536807066470 Text en © International Union of Crystallography 2008 http://journals.iucr.org/services/termsofuse.html This is an open-access article distributed under the terms described at http://journals.iucr.org/services/termsofuse.html. |
spellingShingle | Organic Papers Alhouari, Ghali Kerbal, Abdelali Larbi, Najib Ben Bennani, Brahim Hadda, Taibi Ben Stoeckli-Evans, Helen 4′-Methyl-3-(4-nitrophenyl)-4-phenyl-4,5,1′,2′,3′,4′-hexahydrospiro[isoxazole-5,2′-naphthalen]-1′-one |
title | 4′-Methyl-3-(4-nitrophenyl)-4-phenyl-4,5,1′,2′,3′,4′-hexahydrospiro[isoxazole-5,2′-naphthalen]-1′-one |
title_full | 4′-Methyl-3-(4-nitrophenyl)-4-phenyl-4,5,1′,2′,3′,4′-hexahydrospiro[isoxazole-5,2′-naphthalen]-1′-one |
title_fullStr | 4′-Methyl-3-(4-nitrophenyl)-4-phenyl-4,5,1′,2′,3′,4′-hexahydrospiro[isoxazole-5,2′-naphthalen]-1′-one |
title_full_unstemmed | 4′-Methyl-3-(4-nitrophenyl)-4-phenyl-4,5,1′,2′,3′,4′-hexahydrospiro[isoxazole-5,2′-naphthalen]-1′-one |
title_short | 4′-Methyl-3-(4-nitrophenyl)-4-phenyl-4,5,1′,2′,3′,4′-hexahydrospiro[isoxazole-5,2′-naphthalen]-1′-one |
title_sort | 4′-methyl-3-(4-nitrophenyl)-4-phenyl-4,5,1′,2′,3′,4′-hexahydrospiro[isoxazole-5,2′-naphthalen]-1′-one |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960307/ https://www.ncbi.nlm.nih.gov/pubmed/21201529 http://dx.doi.org/10.1107/S1600536807066470 |
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