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

ABSTRACT: 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).

SUBMITTER: Booysen IN

PROVIDER: S-EPMC3414944 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2-({[4-(1,3-Benzothia-zol-2-yl)phen-yl]amino}methyl)-phenol.

Project description:In the title compound, C(20)H(16)N(2)OS, the aniline substituent essentially coplanar with the benzothia-zole moiety (with an r.m.s. deviation of all fitted non-H atoms of 0.0612?Å). The phenol group is almost perpendic-ular to the benzothia-zolylaniline group, with an inter-planar angle of 88.36?(2)°. In the crystal, mol-ecules aggregate as centrosymmetric dimers by pairs of O-H?N hydrogen bonds. C-H?O contacts and N-H??(arene) inter-actions also occur.

| S-EPMC3254391 | 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

1,3-Benzothia-zol-2-amine.

Project description:In the crystal structure of the title compound, C(7)H(6)N(2)S, mol-ecules related by an inversion center are linked via N-H?N hydrogen bonds involving the amino groups, forming dimers. In turn, these dimers are linked via a second N-H?N hydrogen bond, forming an infinite two-dimensional network parallel to (011).

| S-EPMC2977242 | 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

1-(6-Chloro-1,3-benzothia-zol-2-yl)-2-[1-(4-meth-oxy-phen-yl)ethyl-idene]hydrazine.

Project description:The asymmetric unit of the title compound, C(16)H(14)ClN(3)OS, contains two independent mol-ecules (A and B) linked into dimers via N-H⋯N hydrogen bonds. The 1,3-benzothia-zol-2-yl ring system and the benzene ring form dihedral angles of 17.08 (8) and 8.63 (7)° in mol-ecules A and B, respectively.

| S-EPMC3435704 | biostudies-literature

N-(Prop-2-yn-1-yl)-1,3-benzothia-zol-2-amine.

Project description:In the title compound, C(10)H(8)N(2)S, the 2-amino-benzothia-zole and propyne groups are not coplanar [dihedral angle = 71.51?(1)°]. The crystal structure is stabilized by strong inter-molecular N-H?N hydrogen bonds and C-H?C, C-H?? and F-type aromatic-aromatic [centroid-centroid distance = 3.7826?(12)?Å] inter-actions are also observed.

| S-EPMC3201401 | biostudies-literature

N-(4,6-Dimethyl-pyrimidin-2-yl)-1,3-benzothia-zol-2-amine.

Project description:In the title compound, C(13)H(12)N(4)S, an amino N atom is connected to a 1,3-benzothia-zole fused-ring system and a dimethyl-substituted pyrimidine ring, these components being aligned [inter-planar dihedral angle = 1.9?(1)°]. The secondary amino N atom forms an inter-molecular N-H?N hydrogen bond to an N atom of the fused ring of an adjacent mol-ecule, generating a centrosymmetric cyclic hydrogen-bonded dimer [graph set R(2) (2)(8)].

| S-EPMC3247515 | biostudies-literature

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

4-{4-Methyl-2-[(meth-yl)(2-methyl-phen-yl)amino]-1,3-thia-zol-5-yl}-N-(3-methyl-phen-yl)pyrimidin-2-amine.

Project description:In the title compound, C(23)H(23)N(5)S, the thia-zole ring and pyrimidine ring are almost coplanar, making a dihedral angle of 4.02?(9)°. in the crystal, weak inter-molecular N-H?N inter-actions link pairs of molecules into centrosymmetric dimers.

| S-EPMC3051713 | biostudies-literature

2-[3-(1,3-Benzothia-zol-2-yl)-2,2-di-methyl-prop-yl]-2-methyl-2,3-di-hydro-1,3-benzothia-zole.

Project description:In the title compound, C(20)H(22)N(2)S(2), the five-membered thia-zole ring of the 2-methyl-2,3-dihydro-1,3-benzothia-zole unit has an envelope conformation. The dihedral angle between the planar [maximum deviation of 0.014?(1)?Å for the S atom] benzothia-zole ring system and the benzene ring is 78.37?(12)°. Two intra-molecular C-H?S hydrogen bonds are observed, forming rings of graph-set motif S(6). In the crystal, the molecules are consolidated in pairs through N-H?N hydrogen bonds and are arranged parallel to the b axis.

| S-EPMC3414284 | biostudies-literature

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