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

ABSTRACT: 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.

SUBMITTER: Yunus U

PROVIDER: S-EPMC2914982 | biostudies-literature |

REPOSITORIES: biostudies-literature

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1-(1,3-Benzothia-zol-2-yl)-3-(4-chloro-benzo-yl)thio-urea.

Project description:The title compound, C(15)H(10)ClN(3)OS(2), adopts a cis-trans configuration across the thio-urea C-N bonds with respect to the positions of the benzothia-zole and 4-chloro-benzoyl groups relative to thiono S atom. An intra-molecular N-H?O hydrogen bond is present. In the crystal structure, mol-ecules are linked by a weak inter-molecular N-H?S hydrogen bond, forming centrosymmetric dimers.

| S-EPMC2970223 | biostudies-literature

1-(Benzothia-zol-2-yl)-3-(4-nitro-benzo-yl)thio-urea.

Project description:The mol-ecule of the title compound, C(15)H(10)N(4)O(3)S(2), is almost planar (r.m.s. deviation = 0.1Å for all non-H atoms). An intra-molecular N-H?O=C hydrogen bond is observed. In the crystal, mol-ecules are connected into layers parallel to (10) by a classical inter-molecular hydrogen bond from the second NH group to a nitro O atom and by three weak hydrogen bonds of the C-H?X type (X = O or S(thione)).

| S-EPMC2970100 | biostudies-literature

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

Project description: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.

| S-EPMC2980097 | biostudies-literature

S-1,3-Benzothia-zol-2-yl (2Z)-2-(2-amino-1,3-thia-zol-4-yl)-2-(methoxy-imino)-ethane-thio-ate.

Project description:The title compound, C(13)H(10)N(4)O(2)S(3), is an acyl-ating agent which belongs to the thia-zole class of organic compounds. The dihedral angle between the benzene and thiazole rings, which are fused to each other, is 1.2?(2)° so the overall benzothiazole system is almost planar. Inter-molecular N-H?N inter-actions and weak C-H?O inter-actions between symmetry-related mol-ecules stabilize the crystal structure, forming three different ring motifs [R(2) (2)(8), R(2) (2)(10) and R(2) (2)(16)] in three dimensions.

| S-EPMC2977499 | biostudies-literature

N-[(E)-Thio-phen-2-yl-methyl-idene]-1,3-benzothia-zol-2-amine.

Project description:In the title thio-phene-derived Schiff base compound, C(12)H(8)N(2)S(2), the thio-phene ring is slighty rotated from the benzothia-zole group mean plane, giving a dihedral angle of 12.87 (6)°. The largest displacement of an atom in the mol-ecule from the nine-atom mean plane defined by the non-H atoms of the benzothia-zole ring system is 0.572 (1) Å, exhibited by the C atom at the 3-position of the thio-phene ring. In the crystal, weak C-H⋯S hydrogen bonds involving the thio-phene group S atom and the 4-position thio-phene C-H group of a symmetry-related mol-ecule lead to an infinite one-dimensional chain colinear with the c axis. The structure is further stabilized by π-π inter-actions; the distance between the thia-zole ring centroid and the centroid of an adjacent benzene ring is 3.686 (1) Å. The crystal studied was an inversion twin with the ratio of components 0.73 (3):0.27 (3).

| S-EPMC3414944 | biostudies-literature

1-Benzoyl-3-[4-(3-benzoyl-thio-ureido)phen-yl]thio-urea.

Project description:The mol-ecule of the title compound, C(22)H(18)N(4)O(2)S(2), lies across a crystallographic inversion centre. The mol-ecule adopts a syn-anti configuration with respect to the positions of the carbonyl groups and terminal phenyl rings relative to the thione S atom across the C-N bond. There are two intra-molecular N-H?O and C-H?S hydrogen bonds within each molecule, resulting in the formation of four six-membered S(6) rings. The central and terminal rings make a dihedral angle of 13.55?(15)°. In the crystal, mol-ecules are linked by inter-molecular C-H?S hydrogen bonds, forming R(2) (2)(14) rings and resulting in zigzag chains.

| S-EPMC3011532 | biostudies-literature

2-Anilino-4-(1,3-benzothia-zol-2-yl)-5-(4-chloro-benzo-yl)thio-phene-3-carbonitrile.

Project description:In the title compound, C(25)H(14)ClN(3)OS(2), the central thio-phene ring [maximum deviation = 0.011 (1) Å] makes dihedral angles of 55.72 (5), 13.36 (5) and 46.77 (4)° with the adjacent chloro-substituted benzene ring, the benzene ring and the 1,3-benzothia-zole ring system [maximum deviation = 0.012 (1) Å], respectively. An intra-molecular C-H⋯S(thienyl) hydrogen bond generates an S(6) ring motif in the mol-ecule. In the crystal, mol-ecules are linked by pairs of N-H⋯N hydrogen bonds into inversion dimers and the dimers are further connected by C-H⋯O hydrogen bonds into tapes running along [100]. Aromatic π-π stacking inter-actions are also observed [centroid-to-centroid distances = 3.6116 (6) and 3.7081 (6) Å].

| S-EPMC3414976 | 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

1-Benzoyl-3-(5-quinol-yl)thio-urea.

Project description:The title compound, C(17)H(13)N(3)OS, was obtained by the reaction of benzoyl chloride, ammonium thio-cyanate and 5-amino-quinoline in the presence of polyethyl-eneglycol-400 (PEG-400)?as a phase-transfer catalyst. The compound crystallized as discrete mol-ecules linked by N-H?N and C-H?N hydrogen bonds involving all the potential donors, generating sheets parallel to (100). An intramolecular N-H?O bond is also present.

| S-EPMC2968342 | 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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