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Crystal structure and Hirshfeld surface analysis of 3-(4-meth-oxy-phen-yl)-1-methyl-4-phenyl-1H-pyrazolo-[3,4-d]pyrimidine.

ABSTRACT: In the title mol-ecule, C19H16N4O, the planar pyrazolo-pyrimidine moiety is inclined to the attached phenyl rings by 35.42?(4) and 54.51?(6)°. In the crystal, adjacent mol-ecules are linked into chains parallel to [110] and [10] by C-H?O and C-H?N hydrogen bonds. Additional C-H??(ring) inter-actions 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.

SUBMITTER: El Hafi M

PROVIDER: S-EPMC6505592 | biostudies-literature | 2019 May

REPOSITORIES: biostudies-literature

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Crystal structure and Hirshfeld surface analysis of 3-(4-meth-oxy-phen-yl)-1-methyl-4-phenyl-1H-pyrazolo-[3,4-d]pyrimidine.

El Hafi Mohamed M Kansiz Sevgi S Lahmidi Sanae S Boulhaoua Mohammed M Ramli Youssef Y Dege Necmi N Essassi El Mokhtar EM Mague Joel T JT

Acta crystallographica. Section E, Crystallographic communications 20190416 Pt 5

In the title mol-ecule, C19H16N4O, the planar pyrazolo-pyrimidine moiety is inclined to the attached phenyl rings by 35.42 (4) and 54.51 (6)°. In the crystal, adjacent mol-ecules are linked into chains parallel to [110] and [10] by C-H⋯O and C-H⋯N hydrogen bonds. Additional C-H⋯π(ring) inter-actions lead to the formation of the final three-dimensional network structure. The Hirshfeld surface analysis of the title compound suggests that the most significant contri ...[more]

PMID: 31110802

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