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1-(5-Chloro-6-fluoro-1,3-benzothia-zol-2-yl)hydrazine.

ABSTRACT: In the title compound, C(7)H(5)ClFN(3)S, the 1,3-benzothia-zole ring system is nearly planar (r.m.s. deviation = 0.023 Å). In the crystal, mol-ecules are linked via inter-molecular N-H⋯N hydrogen bonds into a two-dimensional network parallel to (100).

SUBMITTER: Fun HK

PROVIDER: S-EPMC3414915 | biostudies-literature | 2012 Aug

REPOSITORIES: biostudies-literature

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1-(5-Chloro-6-fluoro-1,3-benzothia-zol-2-yl)hydrazine.

Fun Hoong-Kun HK Quah Ching Kheng CK Sarojini B K BK Mohan B J BJ Narayana B B

Acta crystallographica. Section E, Structure reports online 20120718 Pt 8

In the title compound, C(7)H(5)ClFN(3)S, the 1,3-benzothia-zole ring system is nearly planar (r.m.s. deviation = 0.023 Å). In the crystal, mol-ecules are linked via inter-molecular N-H⋯N hydrogen bonds into a two-dimensional network parallel to (100). ...[more]

PMID: 22904902

Similar Datasets

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

1-(6-Fluoro-1,3-benzothia-zol-2-yl)-2-(1-phenyl-ethyl-idene)hydrazine.

Project description:The asymmetric unit of the title compound, C(15)H(12)FN(3)S, consists of two independent mol-ecules with comparable geometries. In one mol-ecule, the 1,3-benzothia-zole ring system (r.m.s. deviation = 0.011 Å) forms a dihedral angle of 19.86 (6)° with the phenyl ring. The corresponding r.m.s. deviation and dihedral angle for the other mol-ecule are 0.014 Å and 22.32 (6)°, respectively. In the crystal, mol-ecules are linked via N-H⋯N, C-H⋯F and C-H⋯N hydrogen bonds into a three-dimensional network. The crystal studied was a non-merohedral twin with a refined BASF value of 0.301 (2).

| S-EPMC3414353 | 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

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

2-(5-Chloro-1,3-benzothia-zol-2-yl)-4-meth-oxy-phenol.

Project description:In the mol-ecule of the title compound, C(14)H(10)ClNO(2)S, the dihedral angle between the almost planar benzothia-zole ring system [maximum deviation = 0.005 (2) Å] and the benzene ring is 1.23 (9)°. The conformation of the mol-ecule is stabilized by an intra-molecular O-H⋯N hydrogen bond, forming an S(6) ring motif. In the crystal, mol-ecules are linked into layers parallel to the ac plane by C-H⋯O hydrogen bonds and π-π stacking inter-actions [centroid-centroid distance = 3.7365 (12) Å].

| S-EPMC3470231 | biostudies-literature

1,1,2,2-Tetra-kis(1,3-benzothia-zol-2-yl)ethene chloro-form disolvate.

Project description:The asymmetric unit of the title solvate, C(30)H(16)N(4)S(4)·2CHCl(3), contains one half-molecule of tetrakis(2-benzothiazolyl)ethene, the complete molecule being generated by inversion symmetry, and one molecule of chloroform. Pairs of the benzothia-zole rings attached to the same carbon atom are almost perpendicular to each other, with an angle between planes of 85.74 (4)°. In the crystal, weak C-H⋯N and C-H⋯Cl interactions generate a three-dimensional network.

| S-EPMC3008001 | biostudies-literature

2-(1,3-Benzothia-zol-2-yl)guanidinium chloride.

Project description:The non-H atoms of the cation of the title salt, C(8)H(9)N(4)S(+)·Cl(-), are approximately co-planar (r.m.s. deviation = 0.037?Å), with one amino group forming an intra-molecular hydrogen bond to the tertiary N atom of the benzothia-zole fused-ring system. The cations and anions are linked by cyclic R(2) (1)(6) N-H?Cl hydrogen-bonding associations, generating helical chains running along the b-axis direction.

| S-EPMC3247516 | biostudies-other

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-(6-Fluoro-1,3-benzothia-zol-2-yl)-3-phenyl-1H-pyrazole-4-carbaldehyde.

Project description:The asymmetric unit of the title compound, C(17)H(10)FN(3)OS, consists of two crystallographically independent mol-ecules. In one mol-ecule, the pyrazole ring makes dihedral angles of 6.51 (7) and 34.02 (9)°, respectively, with the terminal 1,3-benzothia-zole ring system and the phenyl ring, while in the other mol-ecule these values are 6.41 (8) and 23.06 (9)°. In the crystal, the molecules are linked by weak π-π [centroid-centroid distance = 3.7069 (10) Å] and C-H⋯π inter-actions.

| S-EPMC3239088 | biostudies-literature

2-(1,3-Benzothia-zol-2-yl)guanidine.

Project description:In the title comound, C(8)H(8)N(4)S, one of the two independent mol-ecules is essentially planar (r.m.s. deviation = 0.025 Å), while the other is slightly buckled (r.m.s. deviation = 0.131 Å) with the guanidine unit bent out of the plane of the fused-ring system by 16.8 (1)°. In the crystal, inter-molecular N-H⋯N hydrogen bonds between the two independent mol-ecules give rise to a hydrogen-bonded dimer. Addtional weak inter-molecular N-H⋯N hydrogen bonds connect these dimers into chains along [010]. An intra-molecular N-H⋯N hydrogen bond is also observed in each independent mol-ecule.

| S-EPMC3099861 | biostudies-literature

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