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Crystal Structure and Hirshfeld Surface Analysis of 3-(4-methoxyphenyl)-1-methyl-4-phenyl-1Hpyrazolo[3,4-d]pyrimidine

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dc.authorscopusid57188629951
dc.authorscopusid57194716371
dc.authorscopusid56907005000
dc.authorscopusid56983052000
dc.authorscopusid25640152000
dc.authorscopusid57201620841
dc.authorscopusid7005744476
dc.contributor.authorEl Hafi, M.E.
dc.contributor.authorKansız, S.
dc.contributor.authorLahmidi, S.
dc.contributor.authorBoulhaoua, M.
dc.contributor.authorRamli, Y.
dc.contributor.authorDege, N.
dc.contributor.authorEssassi, E.M.
dc.date.accessioned2020-06-21T12:27:01Z
dc.date.available2020-06-21T12:27:01Z
dc.date.issued2019
dc.departmentOndokuz Mayıs Üniversitesien_US
dc.department-temp[El Hafi] Mohamed, Pôle de Compétence Pharmacochimie, Faculté des Sciences Rabat, Rabat, Morocco; [Kansız] Sevgi, Department of Physics, Ondokuz Mayis Üniversitesi, Samsun, Turkey; [Lahmidi] S., Pôle de Compétence Pharmacochimie, Faculté des Sciences Rabat, Rabat, Morocco; [Boulhaoua] Mohammed, Pôle de Compétence Pharmacochimie, Faculté des Sciences Rabat, Rabat, Morocco; [Ramli] Youssef, Laboratory of Medicinal Chemistry, Faculté de Médecine et de Pharmacie de Rabat, Rabat, Morocco; [Dege] Necmi, Department of Physics, Ondokuz Mayis Üniversitesi, Samsun, Turkey; [Essassi] El Mokhtar, Pôle de Compétence Pharmacochimie, Faculté des Sciences Rabat, Rabat, Morocco; [Mague] Joel T., Tulane University School of Science and Engineering, New Orleans, LA, United Statesen_US
dc.description.abstractIn the title molecule, C19H16N4O, 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. © 2019.en_US
dc.identifier.doi10.1107/S2056989019004894
dc.identifier.endpage641en_US
dc.identifier.issn2056-9890
dc.identifier.pmid31110802
dc.identifier.scopus2-s2.0-85065609364
dc.identifier.scopusqualityQ3
dc.identifier.startpage638en_US
dc.identifier.urihttps://doi.org/10.1107/S2056989019004894
dc.identifier.volume75en_US
dc.identifier.wosWOS:000467419200025
dc.language.isoenen_US
dc.publisherInternational Union of Crystallography 5 Abbey Square Chester CH1 2HUen_US
dc.relation.ispartofActa Crystallographica Section E-Crystallographic Communicationsen_US
dc.relation.journalActa Crystallographica Section E-Crystallographic Communicationsen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectC-H⋯π(Ring) Interactionsen_US
dc.subjectCrystal Structureen_US
dc.subjectHirshfeld Surface Analysis National Science Foundation 1228232 Tulane Universityen_US
dc.subjectHydrogen Bonden_US
dc.subjectPyrazolopyrimidineen_US
dc.titleCrystal Structure and Hirshfeld Surface Analysis of 3-(4-methoxyphenyl)-1-methyl-4-phenyl-1Hpyrazolo[3,4-d]pyrimidineen_US
dc.typeArticleen_US
dspace.entity.typePublication

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