title: 4,5-Dihydro-7,8-dimethoxy-1-phenyl-3H-2,3-benzodiazepin-4-one.
abstract: The title compound, C(17)H(16)N(2)O(3), is an antagonist for AMPA/kainate receptors. The molecule has its seven-membered oxadiazole ring in a boat conformation. Asymmetry of the two methoxy bond angles is evident, with (Me)O-C-C angles of 115.45 (12) and 124.78 (13) degrees, and 114.67 (12) and 125.31 (12) degrees. A centrosymmetric dimer involving the HN-CO moieties, with an N...O distance of 2.876 (2) A, graph set R(2)(2)(8), is further linked into chains through methoxy Csp(3)-H...N hydrogen bonds, with a C...N distance of 3.418 (2) A.
authors.affiliation: Dipartimento di Chimica Inorganica, Chimica Analitica e Chimica Fisica, Universitá degli Studi di Messina, Via Salita Sperone 31, 98166 Vill. Sant'Agata, Messina, Italy. bruno@chem.unime.it
authors.forename: G
authors.initials: G
authors.lastname: Bruno
authors.forename: F
authors.initials: F
authors.lastname: Nicoló
authors.forename: A
authors.initials: A
authors.lastname: Rotondo
authors.forename: R
authors.initials: R
authors.lastname: Gitto
authors.forename: M
authors.initials: M
authors.lastname: Zappalá
mesh_terms: D001381:Azepines / Q000737:chemistry*; D018360:Crystallography, X-Ray; D018691:Excitatory Amino Acid Antagonists / Q000737:chemistry*; D006860:Hydrogen Bonding; D008958:Models, Molecular; D018091:Receptors, AMPA / Q000037:antagonists & inhibitors*
chemical_list: C441509:4,5-Dihydro-7,8-dimethoxy-1-phenyl-3H-2,3-benzodiazepin-4-one; D001381:Azepines; D018691:Excitatory Amino Acid Antagonists; D018091:Receptors, AMPA