Global optimization methods linked with simulation models are widely used for automated calibration and serve as useful tools for searching for cost-effective alternatives for environmental management. A genetic algorithm (GA) and shuffled complex evolution (SCE-UA) algorithm were linked with the Long-Term Hydrologic Impact Assessment (L-THIA) model, which employs the curve number (SCS-CN) meth...

The asymmetric unit of the title compound, C(10)H(9)NO(5)S, contains two independent mol-ecules. The heterocyclic thia-zine rings in both mol-ecules adopt half-chair conformations, with the S atoms in each mol-ecule displaced by 0.455 (3) and 0.539 (3) Å and the N atoms displaced in the opposite direction by 0.214 (3) and 0.203 (3) Å, from the planes defined by the remaining ring atoms. The cry...

The title compound, C(15)H(8)Cl(2)N(2)O(2)S, crystallizes with two mol-ecules in the asymmetric unit. The dihedral angles between the 4-chloro-3-nitro-phenyl ring and the thia-zole ring are 0.5 (1) and 7.1 (1)° and those between the 4-chloro-phenyl ring and the thia-zole ring are 7.1 (1) and 7.4 (1)° in the two mol-ecules. The crystal structure is stabilized by inter-molecular C-H⋯Cl and C-H⋯O ...

In the title compound, C(10)H(9)N(3)O(2)S(2), the dihedral angle between the benzene and thia-zolidine rings is 79.8 (2)°. Inter-molecular C-H⋯N and C-H⋯O inter-actions help to stabilize the crystal structure.

In the title compound, C(10)H(11)N(3)O(2)S, the thia-zine ring exists in a conformation inter-mediate between twist-boat and half-chair. The dihedral angle between the mean plane of the thia-zine ring and the hydrazide group is 89.45 (13)°. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules into (100) sheets and weak C-H⋯O inter-actions further consolidate the packing.

In the title compound, C(11)H(8)BrN(3)OS, the dihedral angle between the benzene and thia-zolidine rings is 63.4 (2)°. Inter-molecular C-H⋯N inter-actions help to stabilize the crystal structure.

Four different footprinting techniques have been used to probe the DNA sequence selectivity of Thia-Net, a bis-cationic analogue of the minor groove binder netropsin in which the N-methylpyrrole moieties are replaced by thiazole groups. In Thia-Net the ring nitrogen atoms are directed into the minor groove where they could accept hydrogen bonds from the exocyclic 2-amino group of guanine. Three...

The purpose of this study was to analyze the optimal dose Tembelekan leaf extract (Lantana camara Linn) which has antibacterial properties in inhibiting or killing Edwardsiella tarda bacteria. method used research is Completely Randomized Design (CRD). results yield obtained from tembelakan amounted 8.9%. positive phytochemical test contained active compounds, namely flavonoids, alkaloids, tann...

In the crystal structure of the title compound, C(17)H(18)N(2)O(4)S(3), mol-ecules are connected into centrosymmetric dimers via weak inter-molecular C-H⋯π inter-actions. These dimers are further connected through a series of weak C-H⋯O hydrogen bonds, while futher C-H⋯π inter-actions involving the phenyl and thia-zoline rings are also observed. The thia-zolidine ring is twisted from the benzen...

In the title compound, C(12)H(12)N(6)S(4), the two terminal thia-diazole rings are twisted with respect to the central benzene ring, making dihedral angles of 54.28 (4) and 76.56 (3)°. The dihedral angle between the two thia-diazole rings is 27.77 (4)°. Inter-molecular N-H⋯N hydrogen bonds stabilize the crystal packing, linking the mol-ecules into a tape along the b axis.