organic compounds
Open access
In the title compound, C18H17NO3S, the seven-membered thiazepine ring adopts a slightly distorted sofa conformation. The dihedral angle between the mean plane of the benzothiazepine ring system and the benzene ring is 5.9 (1)°. The molecular conformation is stabilized by an intramolecular C—HS hydrogen bond, which generates an S(7) ring motif. In the crystal, N—HO and C—HO hydrogen bonds link inversion-related molecules into dimers, incorporating R12(6) and R22(8) ring motifs; the acceptor O atom is bifurcated. These dimers are further linked by C—HO hydrogen bonds, forming supramolecular tapes running along the a axis. These are connected into the three-dimensional architecture by C—Hπ interactions.
organic compounds
Open access
In the title compound, C16H11Cl2NOS, the seven-membered thiazepine ring adopts a distorted twist-boat conformation. The dihedral angle between the mean plane of the benzothiazepine ring system and the benzene ring is 78.6 (1)°. The molecular conformation is stabilized by a weak intramolecular C—HCl hydrogen bond, which generates an S(5) ring motif. In the crystal, pairs of N—HO hydrogen bonds link inversion-related molecules into dimers, generating R22(8) ring motifs. The crystal packing also features alternating π–π interactions between benzothiazepine benzene rings [inter-centroid distance = 3.740 (3) Å] and dichlorobenzene rings [inter-centroid distance = 3.882 (3) Å] to consolidate a three-dimensional architecture.
organic compounds
Open access
In the title compound C11H9BrCl2O2, which represents the Z isomer, the methylacrylate moiety is essentially planar within 0.039 (2) Å and has an extended trans configuration. The benzene ring makes a dihedral angle of 28.3 (1)° with the mean plane of the methylacrylate moiety. The crystal packing is characterized by C—HO hydrogen bonding and halogen–halogen interactions [ClCl = 3.486 (3) Å], resulting in the formation of R22(11) ring motifs and connecting the molecules into chains propagating along the b axis.