Project description:In the title mol-ecule, C(24)H(21)ClN(4)OS(2), the central 1,2,4-triazole ring forms dihedral angles of 89.05 (9), 86.66 (9) and 82.70 (10)° with the chloro-substituted benzene ring, the methyl-sulfanyl-substituted benzene ring and the phenyl ring, respectively. In the crystal, mol-ecules are linked into sheets parallel to (100) by inter-molecular N-H⋯N and weak C-H⋯O hydrogen bonds.
Project description:In the title compound, C9H9N3OS, the plane of the benzene ring forms a dihedral angle of 33.40 (5)° with that of the triazole group. In the crystal, mol-ecules are linked by O-H⋯N hydrogen bonds involving the phenol -OH group and one of the unsubstituted N atoms of the triazole ring, resulting in chains along [010]. These chains are further extended into a layer parallel to (001) by weak C-H⋯N hydrogen-bond inter-actions. Aromatic π-π stacking [centroid-centroid separation = 3.556 (1) Å] between the triazole rings links the layers into a three-dimensional network.
Project description:The title compound, C20H21N3OS, was prepared by Huisgen reaction of 5-(4-hexyl-oxyphen-yl)tetra-zole and chloro-benzo-thia-zole. The essentially planar benzo-thia-zolotriazole framework [maximum deviation from the mean plane of 0.077 (1) Å for the bridgehead N atom] and the phenyl ring form a dihedral angle of 53.34 (5)°. The hex-yloxy chain adopts a gauche-all-anti conformation. The intra-centroid separation of 3.7258 (8) Å between the triazole and benzene rings is the closest contact between individual mol-ecules in the crystal.
Project description:In the title compound, C(19)H(16)N(4)S(4), the mol-ecules exhibit a butterfly conformation, where the thia-diazole and attached benzene rings in two wings are almost coplanar, with dihedral angles of 0.8 (3) and 0.9 (3)°, respectively, while the two thia-diazole rings form a dihedral angle of 46.3 (3)°.
Project description:In the title compound, C14H10ClNOS, the dihedral angle between the benzothia-zole ring system and the meth-oxy-substituted benzene ring is 8.76 (16)°. In the crystal, mol-ecules are stacked in columns along the c axis and no significant inter-molecular inter-actions are observed.
Project description:In the title molecule, C(24)H(15)Cl(4)N(3)O(4), the triazole ring makes dihedral angles of 72.02 (12), 81.60 (12) and 73.82 (11)°, respectively, with the adjacent phenyl ring and the two dichloro-benzene rings. In the crystal, a weak C-H⋯N inter-action, a short Cl⋯Cl contact [3.307 (2) Å] and a π-π stacking inter-action [centroid-centroid distance = 3.568 (4) Å] are observed. An intra-molecular C-H⋯O inter-action is also present.
Project description:In the title compound, C15H13F3O2S, the dihedral angle between the benzene rings is 79.5 (1)°. The ester group is twisted by 7.6 (1)° from the mean plane of the adjacent benzene ring. Disorder was modeled over two sites for one F atom of the tri-fluoro-methyl group with an occupancy ratio of 0.54 (6):0.46 (6). In the crystal, mol-ecules are linked via weak C-H⋯O hydrogen bonds, forming two-dimensional networks lying parallel to (101). The networks are linked via C-H⋯π inter-actions, leading to the formation of a three-dimensional supra-molecular structure.
Project description:The title mol-ecule, C(11)H(12)N(2)OS(2), is twisted with a dihedral angle of 83.63 (12)° between the 1,3,4-thia-diazole and benzene rings. The meth-oxy group deviates slightly from the attached benzene ring, with a C-C-O-C torsion angle of 4.2 (4)°. In the crystal, mol-ecules are linked by weak C-H⋯N inter-actions and stacked along the c axis.
Project description:The structure of the title compound, C(18)H(10)N(2)S(3), consists of a central thio-phene ring and two terminal thia-zole rings. The two S atoms of the thia-zole rings are trans to the thio-phene S atom sulfur. The thia-zole rings are approximately coplanar with the thio-phene ring, with dihedral angles of 6.23 (11) and 4.81 (11)° between them. In the crystal, zigzag chains are formed along [010] by weak C-H⋯N inter-actions.