CRYSTAL STRUCTURE OF 1,9-DIMETHYL-4,5-DIHYDRO-6H-PYRIDO[3′,2′:4,5]THIENO[2,3-f]PYRROLO [1,2-a][1,4]DIAZEPIN-6-ONE
N.N. Pesyan
Department of Chemistry, Faculty of Science, Urmia University, 57159, Urmia, Iran, n.noroozi@mail.urmia.ac.ir
Ключевые слова: hydrogen bond, independent molecules, torsion helicoid, diazepinones
Страницы: 1021-1025
Аннотация
A new tetracyclic compound, 1,9-dimethyl-4,5-dihydro-6H-pyrido[3′,2′:4,5]thieno[2,3-f]pyrrolo[1,2-a][1,4]diazepin-6-one (2) was isolated and studied by X-ray crystallography. Compound 2 crystallizes in the orthorhombic system, space group Pna21, a = 11.1098(8), b = 8.4815(6), c = 28.367(2) Å, V = 2673.0(3) Å3, Z = 8. The crystal structure comprises two crystallographically independent molecules of the compound. They relate as stereoisomers; in each the diazepine ring exhibits a boat conformation. The crystal packing reveals zig-zag
H-bonded chains with two distinct hydrogen bonds. The H…O distances and N-H…O angles for N3-H3…O1′ are 2.012 Å and 174°, and for N3′-H3′…O1 are 1.974 Å and 154°, respectively.
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