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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; Kansiz, Sevgi; Lahmidi, Sanae; Boulhaoua, Mohammed; Ramli, Youssef; Dege, Necmi; Essassi, El Mokhtar; Mague, Joel T.
Affiliation
  • El Hafi M; Laboratoire de Chimie Organique Hétérocyclique, Centre de Recherche Des Sciences des Médicaments, Pôle de Compétence Pharmacochimie, Av Ibn Battouta, BP 1014, Faculté des Sciences, Université Mohammed V, Rabat, Morocco.
  • Kansiz S; Ondokuz Mayis University, Faculty of Arts and Sciences, Department of Physics, 55139, Kurupelit, Samsun, Turkey.
  • Lahmidi S; Laboratoire de Chimie Organique Hétérocyclique, Centre de Recherche Des Sciences des Médicaments, Pôle de Compétence Pharmacochimie, Av Ibn Battouta, BP 1014, Faculté des Sciences, Université Mohammed V, Rabat, Morocco.
  • Boulhaoua M; Laboratoire de Chimie Organique Hétérocyclique, Centre de Recherche Des Sciences des Médicaments, Pôle de Compétence Pharmacochimie, Av Ibn Battouta, BP 1014, Faculté des Sciences, Université Mohammed V, Rabat, Morocco.
  • Ramli Y; Laboratory of Medicinal Chemistry, Faculty of Medicine and Pharmacy, Mohammed V, University Rabat, Morocco.
  • Dege N; Ondokuz Mayis University, Faculty of Arts and Sciences, Department of Physics, 55139, Kurupelit, Samsun, Turkey.
  • Essassi EM; Laboratoire de Chimie Organique Hétérocyclique, Centre de Recherche Des Sciences des Médicaments, Pôle de Compétence Pharmacochimie, Av Ibn Battouta, BP 1014, Faculté des Sciences, Université Mohammed V, Rabat, Morocco.
  • Mague JT; Department of Chemistry, Tulane University, New Orleans, LA 70118, USA.
Acta Crystallogr E Crystallogr Commun ; 75(Pt 5): 638-641, 2019 May 01.
Article in En | MEDLINE | ID: mdl-31110802
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 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.
Key words

Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: Acta Crystallogr E Crystallogr Commun Year: 2019 Document type: Article Affiliation country: Morocco Country of publication: United kingdom

Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: Acta Crystallogr E Crystallogr Commun Year: 2019 Document type: Article Affiliation country: Morocco Country of publication: United kingdom