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4-(1,3-Benzothia-zol-2-yl)-N-(2-pyridylmeth-yl)aniline monohydrate.

ABSTRACT: In the title compound, C(19)H(15)N(3)S·H(2)O, the benzothia-zole ring system forms a dihedral angle of 7.22 (1)° with the benzene ring and the benzene ring forms a dihedral angle of 80.89 (1)° with the pyridine ring. An intra-molecular N-H⋯O inter-action is present. The crystal structure is stablized by inter-molecular O-H⋯N hydrogen bonds, π-π [centroid-centroid distances = 3.782 (1), 3.946 (1) and 3.913 (1) Å] and C-H⋯π inter-actions, forming a three dimensional-network.

SUBMITTER: Su ZH

PROVIDER: S-EPMC2967994 | biostudies-literature |

REPOSITORIES: biostudies-literature

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[(1,3-Benzothia-zol-2-yl)amino-carbon-yl]meth-yl piperidine-1-carbodithio-ate monohydrate.

Project description:In the title compound, C(15)H(17)N(3)OS(3)·H(2)O, the piperidine ring has a chair conformation. The crystal structure is stabilized by weak inter-molecular N-H?O, O-H?N and O-H?O hydrogen-bonding inter-actions.

| S-EPMC3120394 | biostudies-literature

N-(4-Chloro-1,3-benzothia-zol-2-yl)-2-(3-methyl-phen-yl)acetamide monohydrate.

Project description:In the title compound, C(16)H(13)ClN(2)OS·H(2)O, the dihedral angle between the mean planes of the benzothia-zole ring system and the methylphenyl ring is 79.3?(6)°. The crystal packing features inter-molecular O-H?N, O-H?O and N-H?O hydrogen bonds involving the water mol-ecule and weak C-H?O, C-H?Cg and ?-? stacking inter-actions [centroid-centroid distances = 3.8743?(7), 3.7229?(7) and 3.7076?(8)?Å].

| S-EPMC3201351 | biostudies-literature

2-[(1,3-Benzothia-zol-2-yl)imino-meth-yl]phenol.

Project description:The title compound, C(14)H(10)N(2)OS, is nearly planar, with a maximum deviation of 0.0698 (13) Å from the mean plane, and exists in an E configuration with respect to the C=N bond. The dihedral angle between the two benzene rings is 2.81 (9)°. There is an intra-molecular O-H⋯N hydrogen bond and inter-molecular C-H⋯O and C-H⋯N hydrogen bonds.

| S-EPMC2968841 | biostudies-literature

1-(6-Chloro-1,3-benzothia-zol-2-yl)hydrazine.

Project description:The asymmetric unit of the title compound, C(7)H(6)ClN(3)S, consists of two crystallographically independent mol-ecules (A and B). The dihedral angle between the benzothia-zole ring system and the hydrazine group is 8.71 (6)° in mol-ecule A and 7.16 (6)° in mol-ecule B. The N-N-C-N and N-N-C-S torsion angles involving the hydrazine group are 170.89 (9) and -9.96 (13)°, respectively, in mol-ecule A and 172.50 (9) and -7.43 (13)°, respectively, in mol-ecule B. In the crystal, neighbouring mol-ecules are connected via pairs of N-H⋯N hydrogen bonds, generating R(2) (2)(8) ring motifs, and are connected further by N-H⋯N hydrogen bonds into sheets lying parallel to the ab plane. The crystal studied was an inversion twin, the refined ratio of the twin components being 0.50 (3):0.50 (3).

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Bis[2-(1,3-benzothia-zol-2-ylsulfan-yl)eth-yl] ether.

Project description:The complete molecule of title compound, C(18)H(16)N(2)OS(4), is generated by crystallographic twofold symmetry, with the O atom lying on the rotation axis. The dihedral angle between the ring systems is 80.91?(2)°. In the crystal, adjacent mol-ecules are connected through ?-? stacking inter-actions [centroid-centroid distance = 3.882?(2)?Å], forming a three-dimensional network.

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Diethyl [4-(1,3-benzothia-zol-2-yl)benz-yl]phospho-nate.

Project description:In the title mol-ecule, C(18)H(20)NO(3)PS, the benzene ring and the benzothia-zole mean plane are almost coplanar, forming a dihedral angle of 2.29?(2)°. The two ethyl groups are each disordered over two conformations in ratios that refined to 0.59?(1):0.41?(1) and 0.56?(1):0.44?(1). In the crystal, weak inter-molecular C-H?O hydrogen bonds link the mol-ecules into layers parallel to the bc plane.

| S-EPMC3011668 | biostudies-literature

3-[2-(1,3-Benzothia-zol-2-ylsulfan-yl)eth-yl]-1,3-oxazolidin-2-one.

Project description:The title compound, C(12)H(12)N(2)S(2)O(2), consists of a benzothia-zole group and a oxazolidin-1-one linked via a flexible ethane-1,2-diyl spacer. The benzothiazole group and the oxazolidine ring are each almost planar [with maximum deviations of 0.007 (2) and 0.044 (3) Å, respectively] and make a dihedral angle of 9.35 (10)°. In the crystal structure, adjacent mol-ecules were connected through C-H⋯O and C-H⋯N hydrogen bonds, and further extended into a three-dimensional network structure through inter-molecular aromatic π-π stacking inter-actions in which the centroid-centroid distance is 3.590 (1) Å.

| S-EPMC2983132 | biostudies-literature

2-(1,3-Benzothia-zol-2-ylsulfan-yl)-1-phenyl-ethanone.

Project description:In the mol-ecule of the title compound, C(15)H(11)NOS(2), the 1,3-benzothia-zole ring is oriented at a dihedral angle of 6.61?(6)° with respect to the phenyl ring. In the crystal structure, inter-molecular C-H?O inter-actions link the mol-ecules in a herring-bone arrangement along the b axis and ?-? contacts between the thia-zole and phenyl rings [centroid-centroid distance = 3.851?(1)?Å] may further stabilize the structure.

| S-EPMC2970398 | biostudies-literature

1-(1,3-Benzothia-zol-2-yl)-3-benzoyl-thio-urea.

Project description:The title compound, C(15)H(11)N(3)OS(2), was synthesized from benzoyl thio-cyanate and 2-amino-benzothia-zole in dry acetone. The thio-urea group is in the thio-amide form. The mol-ecules are stabilized by two inter-molecular C-H⋯S and C-H⋯O hydrogen bonds. Intra-molecular N-H⋯O hydrogen bonding results in a pseudo-S(6) planar ring with dihedral angles of 11.23 and 11.91° with the benzothiazole ring system and the phenyl ring, respectively.

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2-(1,3-Benzothia-zol-2-ylimino-meth-yl)-2-naphthol.

Project description:In the title mol-ecule, C(18)H(12)N(2)OS, the dihedral angle between the two fused-ring systems is 7.2 (1)°. The hydr-oxy group forms an intra-molecular hydrogen bond with the imino group.

| S-EPMC2968843 | biostudies-literature

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