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2-(6-Benzoyl-2-oxo-1,3-benzothia-zol-3-yl)acetic acid.

ABSTRACT: In the title compound, C(16)H(11)NO(4)S, the nine-membered fused ring is nearly planar, with maximum deviations from the mean plane of -0.022 (1) Å for the N atom and 0.011 (1) Å for the S atom, and makes a dihedral angle of 53.56 (7)° with the phenyl ring. The crystal structure is stabilized by O-H⋯O and C-H⋯O hydrogen-bonding inter-actions.

SUBMITTER: Aydın A

PROVIDER: S-EPMC2980097 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2-(3-Oxo-2,3-dihydro-1,2-benzothia-zol-2-yl)acetic acid.

Project description:In the title compound, C(9)H(7)NO(3)S, the benzoisothia-zolone ring system is essentially planar, with a maximum deviation of 0.013 (2) Å. In the crystal, mol-ecules are linked via O-H⋯O hydrogen bonds, forming chains along [010]. In addition, weak inter-molecular C-H⋯O hydrogen bonds are present.

| S-EPMC3238948 | 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.

| S-EPMC2914982 | biostudies-literature

2-(Benzothia-zol-2-yl-sulfanyl)-acetic acid.

Project description:In the title compound, C(9)H(7)NO(2)S(2), the benzine ring is essentially co-planar with the thia-zole ring, making a dihedral angle of 0.36?(7)°. In the crystal structure, mol-ecules are linked by inter-molecular O-H?N hydrogen bonds between the carb-oxy group and the thia-zole N atom into chains along [10]. The chains are assembled into a supermolecular layer structure by thia-zole ring S?S contacts [3.5679?(7)?Å].

| S-EPMC3009155 | biostudies-literature

2-{[4-(1,3-Benzothia-zol-2-yl)phen-yl](meth-yl)amino}acetic acid.

Project description:In the title compound, C(16)H(14)N(2)O(2)S, the dihedral angle between the benzothia-zole ring system and benzene ring is 3.11?(2)°. In the crystal structure, inter-molecular O-H?N hydrogen bonds link mol-ecules into chains along [100] and these chains are, in turn, linked into a three-dimensional network via weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC2971184 | biostudies-other

Ethyl 2-(4-chloro-2-oxo-2,3-dihydro-1,3-benzothia-zol-3-yl)acetate.

Project description:In the mol-ecule of the title compound, C(11)H(10)ClNO(3)S, the benzene and thia-zole rings are oriented at a dihedral angle of 1.25 (3)°. Intra-molecular C-H⋯O and C-H⋯Cl inter-actions result in the formation of two five-membered rings which both adopt envelope conformations.

| S-EPMC2969022 | biostudies-literature

(Z)-Methyl 4-(1,3-benzothia-zol-2-yl-sulfan-yl)-2-(methoxy-imino)-3-oxo-butanoate.

Project description:In the mol-ecular structure of the title compound, C(13)H(12)N(2)O(4)S(2), there is a dihedral angle of 0.41 (13)° between the benzene and thia-zole rings. In the crystal, inversion dimers linked by two C-H⋯O inter-actions together with π-π stacking between the parallel benzene rings of adjacent mol-ecules [centroid-centroid distance = 3.673 (2) Å].

| S-EPMC2967954 | biostudies-literature

Tetra-butyl-ammonium N-benzoyl-6-nitro-1,3-benzothia-zol-2-aminide.

Project description:In the title salt, C(16)H(36)N(+)·C(14)H(8)N(3)O(3)S(-), the torsion angles within the cation reveal that one butyl group displays an anti conformation and the other three butyl groups show gauche conformations. The anion is almost planar, with a largest deviation of 0.166?(6)?Å from the least-squares plane (r.m.s. deviation of fitted atoms = 0.052?Å). In the crystal structure, the component ions inter-act by means of weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC3007408 | 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).

| S-EPMC3295472 | biostudies-literature

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.

| S-EPMC2980199 | biostudies-literature

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