<HashMap><database>biostudies-literature</database><scores/><additional><omics_type>Unknown</omics_type><volume>64(Pt 1)</volume><submitter>Jasinski JP</submitter><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.</pubmed_abstract><journal>Acta crystallographica. Section E, Structure reports online</journal><pagination>o1-2</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC2914892</full_dataset_link><repository>biostudies-literature</repository><pubmed_title>(2E)-3-(4-Methyl-phen-yl)-1-(3-nitro-phen-yl)prop-2-en-1-one.</pubmed_title><pmcid>PMC2914892</pmcid><pubmed_authors>Lakshmana K</pubmed_authors><pubmed_authors>Jasinski JP</pubmed_authors><pubmed_authors>Yathirajan HS</pubmed_authors><pubmed_authors>Butcher RJ</pubmed_authors><pubmed_authors>Narayana B</pubmed_authors></additional><is_claimable>false</is_claimable><name>(2E)-3-(4-Methyl-phen-yl)-1-(3-nitro-phen-yl)prop-2-en-1-one.</name><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.</description><dates><release>2007-01-01T00:00:00Z</release><publication>2007 Dec</publication><modification>2025-04-22T11:06:02.936Z</modification><creation>2019-03-26T23:59:15Z</creation></dates><accession>S-EPMC2914892</accession><cross_references><pubmed>21200665</pubmed><doi>10.1107/S160053680706182X</doi></cross_references></HashMap>