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Crystal structure of 3,5-dimethoxy-2-[5-(naphthalen-1-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
In the title compound, C(21)H(20)N(2)O(3), the planes of the benzene ring and the naphthalene ring system are inclined to one another by 70.95°, and by 4.99 (6) and 75.93 (5)°, respectively, to the mean plane of the pyrazoline ring. The latter has an envelope conformation with the methine (CH) C ato...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2015
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647439/ https://www.ncbi.nlm.nih.gov/pubmed/26594435 http://dx.doi.org/10.1107/S2056989015016369 |
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author | Koh, Dongsoo |
author_facet | Koh, Dongsoo |
author_sort | Koh, Dongsoo |
collection | PubMed |
description | In the title compound, C(21)H(20)N(2)O(3), the planes of the benzene ring and the naphthalene ring system are inclined to one another by 70.95°, and by 4.99 (6) and 75.93 (5)°, respectively, to the mean plane of the pyrazoline ring. The latter has an envelope conformation with the methine (CH) C atom as the flap. There is an intramolecular O—H⋯N hydrogen bond that forms an S(6) ring motif. In the crystal, molecules are linked by C—H⋯O hydrogen bonds, forming chains along [100]. The chains are linked via C—H⋯N hydrogen bonds, forming sheets parallel to the ab plane. The sheets are linked by a series of N—H⋯π and C—H⋯π interactions forming a three-dimensional structure. |
format | Online Article Text |
id | pubmed-4647439 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-46474392015-11-20 Crystal structure of 3,5-dimethoxy-2-[5-(naphthalen-1-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenol Koh, Dongsoo Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(21)H(20)N(2)O(3), the planes of the benzene ring and the naphthalene ring system are inclined to one another by 70.95°, and by 4.99 (6) and 75.93 (5)°, respectively, to the mean plane of the pyrazoline ring. The latter has an envelope conformation with the methine (CH) C atom as the flap. There is an intramolecular O—H⋯N hydrogen bond that forms an S(6) ring motif. In the crystal, molecules are linked by C—H⋯O hydrogen bonds, forming chains along [100]. The chains are linked via C—H⋯N hydrogen bonds, forming sheets parallel to the ab plane. The sheets are linked by a series of N—H⋯π and C—H⋯π interactions forming a three-dimensional structure. International Union of Crystallography 2015-09-12 /pmc/articles/PMC4647439/ /pubmed/26594435 http://dx.doi.org/10.1107/S2056989015016369 Text en © Dongsoo Koh 2015 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 | Data Reports Koh, Dongsoo Crystal structure of 3,5-dimethoxy-2-[5-(naphthalen-1-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenol |
title | Crystal structure of 3,5-dimethoxy-2-[5-(naphthalen-1-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenol |
title_full | Crystal structure of 3,5-dimethoxy-2-[5-(naphthalen-1-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenol |
title_fullStr | Crystal structure of 3,5-dimethoxy-2-[5-(naphthalen-1-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenol |
title_full_unstemmed | Crystal structure of 3,5-dimethoxy-2-[5-(naphthalen-1-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenol |
title_short | Crystal structure of 3,5-dimethoxy-2-[5-(naphthalen-1-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenol |
title_sort | crystal structure of 3,5-dimethoxy-2-[5-(naphthalen-1-yl)-4,5-dihydro-1h-pyrazol-3-yl]phenol |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647439/ https://www.ncbi.nlm.nih.gov/pubmed/26594435 http://dx.doi.org/10.1107/S2056989015016369 |
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