{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["67(Pt 10)"],"submitter":["Fun HK"],"pubmed_abstract":["The asymmetric unit of the title compound, C(19)H(17)N(3)O, contains two independent mol-ecules. In one mol-ecule, the essentially planar triazole ring [maximum deviation = 0.003 (2) Å] forms dihedral angles of 5.57 (12) and 87.51 (12)° with the two phenyl rings, while in the other mol-ecule [maximum deviation in triazole ring = 0.001 (2) Å] these angles are 1.55 (10) and 82.73 (11)°. The dihedral angles between the two phenyl rings in the two mol-ecules are 87.77 (13) and 81.22 (11)°. In the crystal, the independent mol-ecules are connected via a weak C-H⋯N hydrogen bond, forming dimers. Further stabilization is provided by weak C-H⋯π inter-actions."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o2707"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3201398"],"repository":["biostudies-literature"],"pubmed_title":["(E)-1-(1-Benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-3-phenyl-prop-2-en-1-one."],"pmcid":["PMC3201398"],"pubmed_authors":["Ponnuswamy A","Fun HK","Jagatheesan R","Hemamalini M","Shanmugavelan P"],"additional_accession":[]},"is_claimable":false,"name":"(E)-1-(1-Benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-3-phenyl-prop-2-en-1-one.","description":"The asymmetric unit of the title compound, C(19)H(17)N(3)O, contains two independent mol-ecules. In one mol-ecule, the essentially planar triazole ring [maximum deviation = 0.003 (2) Å] forms dihedral angles of 5.57 (12) and 87.51 (12)° with the two phenyl rings, while in the other mol-ecule [maximum deviation in triazole ring = 0.001 (2) Å] these angles are 1.55 (10) and 82.73 (11)°. The dihedral angles between the two phenyl rings in the two mol-ecules are 87.77 (13) and 81.22 (11)°. In the crystal, the independent mol-ecules are connected via a weak C-H⋯N hydrogen bond, forming dimers. Further stabilization is provided by weak C-H⋯π inter-actions.","dates":{"release":"2011-01-01T00:00:00Z","publication":"2011 Oct","modification":"2025-04-04T08:05:53.445Z","creation":"2019-03-26T23:59:30Z"},"accession":"S-EPMC3201398","cross_references":{"pubmed":["22065569"],"doi":["10.1107/S1600536811037871"]}}