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

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El Hafi M., Kansiz S., Lahmidi S., Boulhaoua M., Ramli Y., DEGE N., ...Daha Fazla

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.75, ss.638-646, 2019 (ESCI) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 75
  • Basım Tarihi: 2019
  • Doi Numarası: 10.1107/s2056989019004894
  • Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
  • Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
  • Sayfa Sayıları: ss.638-646
  • Anahtar Kelimeler: crystal structure, hydrogen bond, C-H center dot center dot center dot pi(ring) interactions, pyrazolo-pyrimidine, Hirshfeld surface analysis, METAL-IONS
  • Ondokuz Mayıs Üniversitesi Adresli: Evet

Özet

In the title molecule, C19H16N4O, the planar pyrazolopyrimidine moiety is inclined to the attached phenyl rings by 35.42 (4) and 54.51 (6)degrees. In the crystal, adjacent molecules are linked into chains parallel to [110] and [1 (1) over bar0] by C-H center dot center dot center dot O and C-H center dot center dot center dot N hydrogen bonds. Additional C-H center dot center dot center dot pi(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 center dot center dot center dot H (48.2%), C center dot center dot center dot H/H center dot center dot center dot C (23.9%) and N center dot center dot center dot H/H center dot center dot center dot N (17.4%) contacts.