In the title compound, C19H14FNS2, the seven-membered thia-zepine ring adopts a slightly distorted twist boat conformation. The dihedral angle between the benzene rings is 53.6 (1)°. The mean plane of the thia-zepine ring is twisted by 34.3 (7)° and 36.6 (7)° from the benezene rings. A C-H⋯F interaction generates stacking of molecules along the ab plane.

In the title compound, C(15)H(14)Cl(2)N(2)OS, the piperidine ring adopts a chair conformation. The dihedral angle between the thia-zolidine ring and the dichloro-benzene ring is 9.30 (4)°; this near coplanar conformation is stabilized by the formation of an intra-molecular C-H⋯S hydrogen bond, which generates an S(6) ring. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds, forming [...

The asymmetric unit of the title compound, C(10)H(9)ClN(4)S, common name thia-cloprid, comprises two mol-ecules. In both mol-ecules, the thia-zolidine rings are almost planar (with r.m.s. deviations of 0.016 and 0.065 Å) and form dihedral angles of 73.36 (6) and 70.25 (8)° with the 2-chloro-pyridine rings. In the crystal, inter-molecular C-H⋯N hydrogen bonds links the mol-ecules into chains pro...

In the title compound, C(22)H(17)ClFN(3)O(2)S, the pyrazole ring is approximately planar with a maximum deviation of 0.001 (4) Å and makes dihedral angles of 4.95 (19), 35.78 (18) and 54.73 (18)° with the thia-zole, fluoro-benzene and chloro-benzene rings, respectively. In the crystal, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into chains along the a axis.

In the title compound, C(17)H(11)N(5)S(2), the dihedral angles formed between the triazole ring and the benzene ring and the 1,3-benzothia-zole ring system are 8.67 (8) and 13.90 (9)°, respectively. The conformation of the triazolo-thia-diazin-3-yl fused ring system is a twisted half-chair. Overall, the mol-ecule adopts a flattened shape. Supra-molecular helical chains along the a axis sustaine...

The influence of halogen atom substitution (Br and I), in different amounts and positions in an aza-BODIPY skeleton, on the photophysical properties of some aza-BODIPY derivatives has been investigated by using density functional theory and its time-dependent extension. The heavy atom effect on excitation energies, singlet-triplet energy gaps and spin-orbit matrix elements has been considered. ...

In the title compound, C(10)H(8)N(4)OS, the dihedral angle between the pyridine and thia-zolidine rings is 52.5 (5)°. Inter-molecular C-H⋯N inter-actions help to stabilize the crystal structure.

The asymmetric unit of the title compound, C(20)H(18)ClN(5)O(3)S, contains two independent mol-ecules with significantly different conformations of the heterocyclic thia-zine rings. In both mol-ecules, the thia-zine rings adopt half-chair conformations, with the S atoms displaced by 0.382 (3) and 0.533 (3) Å and N atoms -0.351 and -0.275 Å, respectively, from the planes formed by the remaining ...

The asymmetric unit of the title compound, C20H24N2O2S, contains two independent mol-ecules having very similar geometries. The main N-(6-meth-oxy-1,3-benzo-thia-zol-2-yl)acetamide moiety adopts an almost planar structure (r.m.s. deviations of 0.091 and 0.051 Å for the two independent molecules). The adamantyl substituent occupies the gauche position relative to the C-N bond of the acetamide mo...

In the title compound, C17H17N3O3S, the cyclo-pentane ring is disordered over two sets of sites with an occupancy ratio of 0.775 (8):0.225 (8) for the affected atoms. The thia-zolidinyl ring is planar (r.m.s. deviation = 0.024 Å) and forms a dihedral angle of 65.13 (8)° with the attached phenyl ring. The mol-ecular packing is stabilized by C-H⋯O and C-H⋯π inter-actions, forming a three-dimensio...