{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["64(Pt 1)"],"submitter":["Jasinski JP"],"pubmed_abstract":["The title compound, C(16)H(13)NO(3), crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. The dihedral angle between the mean planes of the 4-methyl-phenyl and 3-nitro-phenyl groups is 4.0 (3)° in mol-ecule A and 16.2 (7)° in mol-ecule B. Inter-molecular C-H⋯O hydrogen bonding involving the O atoms of the 3-nitro-phenyl group of both independent mol-ecules link the mol-ecules into layers approximately parallel to the (110) plane. The layers are held together by π-π stacking inter-actions between the 4-methyl-phenyl ring of mol-ecule A and the 3-nitro-phenyl ring of mol-ecule B of the adjacent layer, with the distance between the centroids of inter-acting rings being 3.6987 (7) Å."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o1-2"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC2914892"],"repository":["biostudies-literature"],"pubmed_title":["(2E)-3-(4-Methyl-phen-yl)-1-(3-nitro-phen-yl)prop-2-en-1-one."],"pmcid":["PMC2914892"],"pubmed_authors":["Lakshmana K","Jasinski JP","Yathirajan HS","Butcher RJ","Narayana B"],"additional_accession":[]},"is_claimable":false,"name":"(2E)-3-(4-Methyl-phen-yl)-1-(3-nitro-phen-yl)prop-2-en-1-one.","description":"The title compound, C(16)H(13)NO(3), crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. The dihedral angle between the mean planes of the 4-methyl-phenyl and 3-nitro-phenyl groups is 4.0 (3)° in mol-ecule A and 16.2 (7)° in mol-ecule B. Inter-molecular C-H⋯O hydrogen bonding involving the O atoms of the 3-nitro-phenyl group of both independent mol-ecules link the mol-ecules into layers approximately parallel to the (110) plane. The layers are held together by π-π stacking inter-actions between the 4-methyl-phenyl ring of mol-ecule A and the 3-nitro-phenyl ring of mol-ecule B of the adjacent layer, with the distance between the centroids of inter-acting rings being 3.6987 (7) Å.","dates":{"release":"2007-01-01T00:00:00Z","publication":"2007 Dec","modification":"2025-04-22T11:06:02.936Z","creation":"2019-03-26T23:59:15Z"},"accession":"S-EPMC2914892","cross_references":{"pubmed":["21200665"],"doi":["10.1107/S160053680706182X"]}}