Crystal structure and Hirshfeld surface analysis of 3-(4-meth­oxy­phen­yl)-1-methyl-4-phenyl-1H-pyrazolo­[3,4-d]pyrimidine

In the crystal structure of the title compound, C—H⋯O and C—H⋯N hydrogen bonds as well as C—H⋯π(ring) inter­actions link individual mol­ecules into a three-dimensional network. In the title mol­ecule, C 19 H 16 N 4 O, the planar pyrazolo­pyrimidine moiety is inclined to the attached phenyl rings by...

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Veröffentlicht in:Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2019-05, Vol.75 (Pt 5), p.638-641
Hauptverfasser: El Hafi, Mohamed, Kansiz, Sevgi, Lahmidi, Sanae, Boulhaoua, Mohammed, Ramli, Youssef, Dege, Necmi, Essassi, El Mokhtar, Mague, Joel T.
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Sprache:eng
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Zusammenfassung:In the crystal structure of the title compound, C—H⋯O and C—H⋯N hydrogen bonds as well as C—H⋯π(ring) inter­actions link individual mol­ecules into a three-dimensional network. 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 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.
ISSN:2056-9890
2056-9890
DOI:10.1107/S2056989019004894