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1-[5-(Anthracen-9-yl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
In the title compound, C(25)H(19)N(3)O(3), steric repulsion between the methine H atom and one of the anthryl H atoms seems to be concomitant with the considerable distortion of the anthryl fragment from planarity. The side rings of the anthryl subtend an angle of 9.57 (8)°, which is an extreme valu...
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2011
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051795/ https://www.ncbi.nlm.nih.gov/pubmed/21523061 http://dx.doi.org/10.1107/S1600536810053365 |
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author | Dong, Bao-Li Wang, Ming-Liang Li, Yong-Hua |
author_facet | Dong, Bao-Li Wang, Ming-Liang Li, Yong-Hua |
author_sort | Dong, Bao-Li |
collection | PubMed |
description | In the title compound, C(25)H(19)N(3)O(3), steric repulsion between the methine H atom and one of the anthryl H atoms seems to be concomitant with the considerable distortion of the anthryl fragment from planarity. The side rings of the anthryl subtend an angle of 9.57 (8)°, which is an extreme value among the known reliably determined structures. This angle correlates with the length of the bond by which the anthryl is attached to the rest of the molecule. In the anthryl fragment, the maximum deviation of one of the C atoms from the mean plane is 0.126 (3) Å and regards the carrier C atom involved in the repulsion between the anthryl and the methine H atoms. The interplanar angle between the pyrazoline ring and the anthryl fragment is 88.36 (5)° and that between the pyrazoline and 4-nitrophenyl rings is 8.80 (15)°. Weak intermolecular C—H⋯N, C—H⋯π and π–π interactions [centroid–centroid distances of 3.7659 (17), 3.9477 (15) and 3.8972 (15) Å] are pesent in the structure. |
format | Text |
id | pubmed-3051795 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30517952011-04-26 1-[5-(Anthracen-9-yl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one Dong, Bao-Li Wang, Ming-Liang Li, Yong-Hua Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(25)H(19)N(3)O(3), steric repulsion between the methine H atom and one of the anthryl H atoms seems to be concomitant with the considerable distortion of the anthryl fragment from planarity. The side rings of the anthryl subtend an angle of 9.57 (8)°, which is an extreme value among the known reliably determined structures. This angle correlates with the length of the bond by which the anthryl is attached to the rest of the molecule. In the anthryl fragment, the maximum deviation of one of the C atoms from the mean plane is 0.126 (3) Å and regards the carrier C atom involved in the repulsion between the anthryl and the methine H atoms. The interplanar angle between the pyrazoline ring and the anthryl fragment is 88.36 (5)° and that between the pyrazoline and 4-nitrophenyl rings is 8.80 (15)°. Weak intermolecular C—H⋯N, C—H⋯π and π–π interactions [centroid–centroid distances of 3.7659 (17), 3.9477 (15) and 3.8972 (15) Å] are pesent in the structure. International Union of Crystallography 2011-01-15 /pmc/articles/PMC3051795/ /pubmed/21523061 http://dx.doi.org/10.1107/S1600536810053365 Text en © Dong et al. 2011 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 Dong, Bao-Li Wang, Ming-Liang Li, Yong-Hua 1-[5-(Anthracen-9-yl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one |
title | 1-[5-(Anthracen-9-yl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one |
title_full | 1-[5-(Anthracen-9-yl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one |
title_fullStr | 1-[5-(Anthracen-9-yl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one |
title_full_unstemmed | 1-[5-(Anthracen-9-yl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one |
title_short | 1-[5-(Anthracen-9-yl)-3-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one |
title_sort | 1-[5-(anthracen-9-yl)-3-(4-nitrophenyl)-4,5-dihydro-1h-pyrazol-1-yl]ethan-1-one |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051795/ https://www.ncbi.nlm.nih.gov/pubmed/21523061 http://dx.doi.org/10.1107/S1600536810053365 |
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