title: rac-5-Diphenylacetyl-2,2,4-trimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepine and rac-5-formyl-2,2,4-trimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepine.
abstract: rac-5-Diphenylacetyl-2,2,4-trimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepine, C(26)H(27)NOS, (I), and rac-5-formyl-2,2,4-trimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepine, C(13)H(17)NOS, (II), are both characterized by a planar configuration around the heterocyclic N atom. In contrast with the chair conformation of the parent benzothiazepine, which has no substituents at the heterocyclic N atom, the seven-membered ring adopts a boat conformation in (I) and a conformation intermediate between boat and twist-boat in (II). The molecules lack a symmetry plane, indicating distortions from the perfect boat or twist-boat conformations. The supramolecular architectures are significantly different, depending in (I) on C-H...O interactions and intermolecular S...S contacts, and in (II) on a single aromatic pi-pi stacking interaction.
authors.affiliation: School of Chemistry, Bharathidasan University, Tiruchirappalli, Tamil Nadu 620 024, India.
authors.forename: Thanikasalam
authors.initials: T
authors.lastname: Kanagasabapathy
authors.forename: Panchanatheswaran
authors.initials: P
authors.lastname: Krishnaswamy
authors.forename: Jeyaraman
authors.initials: J
authors.lastname: Ramasubbu
mesh_terms: D018360:Crystallography, X-Ray; D008958:Models, Molecular; D013237:Stereoisomerism; D013841:Thiazepines / Q000737:chemistry*
chemical_list: D013841:Thiazepines; C545467:rac-5-diphenylacetyl-2,2,4-trimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepine; C545468:rac-5-formyl-2,2,4-trimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepine