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1-{3-(4-Chlorophenyl)-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-1-yl}propan-1-one
In the title compound, C(21)H(23)ClN(2)O, the dihedral angle between the benzene rings is 83.2 (6)°, while the mean plane of the pyrazole ring [r.m.s. deviation = 0.043 (1) Å] makes dihedral angles of 3.4 (3) and 86.2 (1)° with the benzene rings. In the crystal, a pair of weak C—H⋯O interactions be...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2014
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4120579/ https://www.ncbi.nlm.nih.gov/pubmed/25161555 http://dx.doi.org/10.1107/S1600536814013075 |
| _version_ | 1782329112059183104 |
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| author | Narayana, B. Salian, Vinutha V. Sarojini, Balladka K. Jasinski, Jerry P. |
| author_facet | Narayana, B. Salian, Vinutha V. Sarojini, Balladka K. Jasinski, Jerry P. |
| author_sort | Narayana, B. |
| collection | PubMed |
| description | In the title compound, C(21)H(23)ClN(2)O, the dihedral angle between the benzene rings is 83.2 (6)°, while the mean plane of the pyrazole ring [r.m.s. deviation = 0.043 (1) Å] makes dihedral angles of 3.4 (3) and 86.2 (1)° with the benzene rings. In the crystal, a pair of weak C—H⋯O interactions between the benzene ring and the propan-1-one group link the molecules into an inversion dimer with an R (2) (2)(16) graph-set motif. In addition, a weak π–π stacking interaction [centroid–centroid distance = 3.959 (4) Å] connects the dimers into a tape running along [201]. |
| format | Online Article Text |
| id | pubmed-4120579 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2014 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-41205792014-08-26 1-{3-(4-Chlorophenyl)-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-1-yl}propan-1-one Narayana, B. Salian, Vinutha V. Sarojini, Balladka K. Jasinski, Jerry P. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(21)H(23)ClN(2)O, the dihedral angle between the benzene rings is 83.2 (6)°, while the mean plane of the pyrazole ring [r.m.s. deviation = 0.043 (1) Å] makes dihedral angles of 3.4 (3) and 86.2 (1)° with the benzene rings. In the crystal, a pair of weak C—H⋯O interactions between the benzene ring and the propan-1-one group link the molecules into an inversion dimer with an R (2) (2)(16) graph-set motif. In addition, a weak π–π stacking interaction [centroid–centroid distance = 3.959 (4) Å] connects the dimers into a tape running along [201]. International Union of Crystallography 2014-06-11 /pmc/articles/PMC4120579/ /pubmed/25161555 http://dx.doi.org/10.1107/S1600536814013075 Text en © Narayana et al. 2014 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 Narayana, B. Salian, Vinutha V. Sarojini, Balladka K. Jasinski, Jerry P. 1-{3-(4-Chlorophenyl)-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-1-yl}propan-1-one |
| title | 1-{3-(4-Chlorophenyl)-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-1-yl}propan-1-one |
| title_full | 1-{3-(4-Chlorophenyl)-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-1-yl}propan-1-one |
| title_fullStr | 1-{3-(4-Chlorophenyl)-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-1-yl}propan-1-one |
| title_full_unstemmed | 1-{3-(4-Chlorophenyl)-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-1-yl}propan-1-one |
| title_short | 1-{3-(4-Chlorophenyl)-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazol-1-yl}propan-1-one |
| title_sort | 1-{3-(4-chlorophenyl)-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1h-pyrazol-1-yl}propan-1-one |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4120579/ https://www.ncbi.nlm.nih.gov/pubmed/25161555 http://dx.doi.org/10.1107/S1600536814013075 |
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