{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["71(Pt 5)"],"submitter":["Boukharsa Y"],"pubmed_abstract":["In the title compound, C18H17ClN2O4, the dihedral angle between the benzofuran ring system [maximum deviation 0.014 (2) Å] and the oxopyradizine ring is 73.33 (8)°. The structure is characterized by disorder of the ethyl group, which is split into two parts, with a major component of 0.57 (3), and the acetate carbonyl O atom, which is statistically disordered. In the crystal, the molecules are linked by C-H⋯O inter-actions, forming a three-dimensional network."],"journal":["Acta crystallographica. Section E, Crystallographic communications"],"pagination":["o291-2"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC4420114"],"repository":["biostudies-literature"],"pubmed_title":["Crystal structure of ethyl 2-{4-[(5-chloro-1-benzo-furan-2-yl)meth-yl]-3-methyl-6-oxo-1,6-di-hydro-pyridazin-1-yl}acetate."],"pmcid":["PMC4420114"],"pubmed_authors":["Taoufik J","Boukharsa Y","El Ammari L","Saadi M","Ansar M"],"additional_accession":[]},"is_claimable":false,"name":"Crystal structure of ethyl 2-{4-[(5-chloro-1-benzo-furan-2-yl)meth-yl]-3-methyl-6-oxo-1,6-di-hydro-pyridazin-1-yl}acetate.","description":"In the title compound, C18H17ClN2O4, the dihedral angle between the benzofuran ring system [maximum deviation 0.014 (2) Å] and the oxopyradizine ring is 73.33 (8)°. The structure is characterized by disorder of the ethyl group, which is split into two parts, with a major component of 0.57 (3), and the acetate carbonyl O atom, which is statistically disordered. In the crystal, the molecules are linked by C-H⋯O inter-actions, forming a three-dimensional network.","dates":{"release":"2015-01-01T00:00:00Z","publication":"2015 May","modification":"2025-04-27T00:55:04.18Z","creation":"2019-03-27T01:51:01Z"},"accession":"S-EPMC4420114","cross_references":{"pubmed":["25995910"],"doi":["10.1107/S2056989015006301"]}}