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Crystal structure and Hirshfeld surface analysis of 3-(4-methoxyphenyl)-1-methyl-4-phenyl-1H-pyrazolo[3,4-d]pyrimidine
In the title molecule, C(19)H(16)N(4)O, the planar pyrazolopyrimidine moiety is inclined to the attached phenyl rings by 35.42 (4) and 54.51 (6)°. In the crystal, adjacent molecules are linked into chains parallel to [110] and [1[Image: see text]0] by C—H⋯O and C—H⋯N hydrogen bonds. Additional C—...
| Autores principales: | , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6505592/ https://www.ncbi.nlm.nih.gov/pubmed/31110802 http://dx.doi.org/10.1107/S2056989019004894 |
| _version_ | 1783416786026233856 |
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| author | El Hafi, Mohamed Kansiz, Sevgi Lahmidi, Sanae Boulhaoua, Mohammed Ramli, Youssef Dege, Necmi Essassi, El Mokhtar Mague, Joel T. |
| author_facet | El Hafi, Mohamed Kansiz, Sevgi Lahmidi, Sanae Boulhaoua, Mohammed Ramli, Youssef Dege, Necmi Essassi, El Mokhtar Mague, Joel T. |
| author_sort | El Hafi, Mohamed |
| collection | PubMed |
| description | In the title molecule, C(19)H(16)N(4)O, the planar pyrazolopyrimidine moiety is inclined to the attached phenyl rings by 35.42 (4) and 54.51 (6)°. In the crystal, adjacent molecules are linked into chains parallel to [110] and [1[Image: see text]0] by C—H⋯O and C—H⋯N hydrogen bonds. Additional C—H⋯π(ring) interactions lead to the formation of the final three-dimensional network structure. The Hirshfeld surface analysis of the title compound suggests that the most significant contributions to the crystal packing are from H⋯H (48.2%), C⋯H/H⋯C (23.9%) and N⋯H/H⋯N (17.4%) contacts. |
| format | Online Article Text |
| id | pubmed-6505592 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2019 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-65055922019-05-20 Crystal structure and Hirshfeld surface analysis of 3-(4-methoxyphenyl)-1-methyl-4-phenyl-1H-pyrazolo[3,4-d]pyrimidine El Hafi, Mohamed Kansiz, Sevgi Lahmidi, Sanae Boulhaoua, Mohammed Ramli, Youssef Dege, Necmi Essassi, El Mokhtar Mague, Joel T. Acta Crystallogr E Crystallogr Commun Research Communications In the title molecule, C(19)H(16)N(4)O, the planar pyrazolopyrimidine moiety is inclined to the attached phenyl rings by 35.42 (4) and 54.51 (6)°. In the crystal, adjacent molecules are linked into chains parallel to [110] and [1[Image: see text]0] by C—H⋯O and C—H⋯N hydrogen bonds. Additional C—H⋯π(ring) interactions lead to the formation of the final three-dimensional network structure. The Hirshfeld surface analysis of the title compound suggests that the most significant contributions to the crystal packing are from H⋯H (48.2%), C⋯H/H⋯C (23.9%) and N⋯H/H⋯N (17.4%) contacts. International Union of Crystallography 2019-04-16 /pmc/articles/PMC6505592/ /pubmed/31110802 http://dx.doi.org/10.1107/S2056989019004894 Text en © El Hafi et al. 2019 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/ |
| spellingShingle | Research Communications El Hafi, Mohamed Kansiz, Sevgi Lahmidi, Sanae Boulhaoua, Mohammed Ramli, Youssef Dege, Necmi Essassi, El Mokhtar Mague, Joel T. Crystal structure and Hirshfeld surface analysis of 3-(4-methoxyphenyl)-1-methyl-4-phenyl-1H-pyrazolo[3,4-d]pyrimidine |
| title | Crystal structure and Hirshfeld surface analysis of 3-(4-methoxyphenyl)-1-methyl-4-phenyl-1H-pyrazolo[3,4-d]pyrimidine |
| title_full | Crystal structure and Hirshfeld surface analysis of 3-(4-methoxyphenyl)-1-methyl-4-phenyl-1H-pyrazolo[3,4-d]pyrimidine |
| title_fullStr | Crystal structure and Hirshfeld surface analysis of 3-(4-methoxyphenyl)-1-methyl-4-phenyl-1H-pyrazolo[3,4-d]pyrimidine |
| title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of 3-(4-methoxyphenyl)-1-methyl-4-phenyl-1H-pyrazolo[3,4-d]pyrimidine |
| title_short | Crystal structure and Hirshfeld surface analysis of 3-(4-methoxyphenyl)-1-methyl-4-phenyl-1H-pyrazolo[3,4-d]pyrimidine |
| title_sort | crystal structure and hirshfeld surface analysis of 3-(4-methoxyphenyl)-1-methyl-4-phenyl-1h-pyrazolo[3,4-d]pyrimidine |
| topic | Research Communications |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6505592/ https://www.ncbi.nlm.nih.gov/pubmed/31110802 http://dx.doi.org/10.1107/S2056989019004894 |
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