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 |
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Hauptverfasser: | , , , , , , , |
Format: | Artikel |
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. |
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ISSN: | 2056-9890 2056-9890 |
DOI: | 10.1107/S2056989019004894 |