{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["65(Pt 7)"],"submitter":["Suwunwong T"],"pubmed_abstract":["The mol-ecule of the title heteroaryl chalcone, C(16)H(16)O(4)S, which consists of substituted thio-phene and benzene rings bridged by the prop-2-en-1-one group, is slightly twisted. The dihedral angle between the thio-phene and 3,4,5-trimethoxy-phenyl rings is 12.18 (4)°. The three meth-oxy groups have two different conformations; two meth-oxy groups are coplanar [C-O-C-C torsion angles = -1.38 (12) and 0.47 (12)°] whereas the third is (-)-synclinal with the benzene ring. In the crystal structure, adjacent mol-ecules are linked in a face-to-side manner into chains along the c axis by weak C-H⋯O(enone) inter-actions. These chains are stacked along the b axis by weak C-H⋯O(meth-oxy) inter-actions."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o1575-6"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC2969210"],"repository":["biostudies-literature"],"pubmed_title":["(E)-1-(2-Thien-yl)-3-(3,4,5-trimethoxy-phen-yl)prop-2-en-1-one."],"pmcid":["PMC2969210"],"pubmed_authors":["Fun HK","Chantrapromma S","Pakdeevanich P","Suwunwong T"],"additional_accession":[]},"is_claimable":false,"name":"(E)-1-(2-Thien-yl)-3-(3,4,5-trimethoxy-phen-yl)prop-2-en-1-one.","description":"The mol-ecule of the title heteroaryl chalcone, C(16)H(16)O(4)S, which consists of substituted thio-phene and benzene rings bridged by the prop-2-en-1-one group, is slightly twisted. The dihedral angle between the thio-phene and 3,4,5-trimethoxy-phenyl rings is 12.18 (4)°. The three meth-oxy groups have two different conformations; two meth-oxy groups are coplanar [C-O-C-C torsion angles = -1.38 (12) and 0.47 (12)°] whereas the third is (-)-synclinal with the benzene ring. In the crystal structure, adjacent mol-ecules are linked in a face-to-side manner into chains along the c axis by weak C-H⋯O(enone) inter-actions. These chains are stacked along the b axis by weak C-H⋯O(meth-oxy) inter-actions.","dates":{"release":"2009-01-01T00:00:00Z","publication":"2009 Jun","modification":"2025-04-04T21:05:11.743Z","creation":"2019-03-27T00:00:09Z"},"accession":"S-EPMC2969210","cross_references":{"pubmed":["21582853"],"doi":["10.1107/S1600536809021850"]}}