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2-[(1,3-Benzothia-zol-2-yl)imino-meth-yl]-4-bromo-phenol.

ABSTRACT: In the title compound, C(14)H(9)BrN(2)OS, the dihedral angle between the benzene rings is 3.1?(3)°. An intra-molecular O-H?N(imine) hydrogen bond occurs. The crystal structure is stabilized by weak inter-molecular C-H?O inter-actions.

SUBMITTER: Diao HP

PROVIDER: S-EPMC3089149 | biostudies-literature | 2011 May

REPOSITORIES: biostudies-literature

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2-[(1,3-Benzothia-zol-2-yl)imino-meth-yl]-4-bromo-phenol.

Diao Hai-Peng HP Sun Ti-Jian TJ Liu Wen W

Acta crystallographica. Section E, Structure reports online 20110413 Pt 5

In the title compound, C(14)H(9)BrN(2)OS, the dihedral angle between the benzene rings is 3.1 (3)°. An intra-molecular O-H⋯N(imine) hydrogen bond occurs. The crystal structure is stabilized by weak inter-molecular C-H⋯O inter-actions. ...[more]

PMID: 21754416

Similar Datasets

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

A monoclinic modification of 2-[(1,3-benzothia-zol-2-yl)imino-meth-yl]phenol.

Project description:In the title Schiff base, C(14)H(10)N(2)OS, the azomethine double bond is in an E configuration; the benzothiazolyl ring (r.m.s. deviation = 0.007 Å) is coplanar with the phenyl-ene ring (r.m.s. deviation = 0.007 Å), the two rings being slightly bent at 2.6 (1)°. The hy-droxy H atom forms an intra-molecular hydrogen bond to the imino group. The bond dimensions of the monoclinic modification are similar to those of the ortho-rhom-bic modification [Liu et al. (2009 ▶). Acta Cryst. E65, o738].

| S-EPMC3006974 | biostudies-literature

(E)-2-[(6-Ethoxy-benzothia-zol-2-yl)imino-meth-yl]-6-methoxy-phenol.

Project description:In the title mol-ecule, C(17)H(16)N(2)O(3)S, the benzothia-zole fragment and the benzene ring form a dihedral angle of 13.8 (4)°, and an intramolecular O-H⋯N hydrogen bond occurs. In the crystal structure, pairs of weak inter-molecular O-H⋯S and C-H⋯(O,O) hydrogen bonds link mol-ecules into centrosymmetric dimers. These dimers are related by translation along the a axis and form stacks via π-π inter-actions, with a short inter-molecular distance of 3.766 (5) Å between the centroids of the benzene and thia-zole rings.

| S-EPMC2969048 | 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 ?-? stacking inter-actions [centroid-centroid distance = 3.7365?(12)?Å].

| S-EPMC3470231 | biostudies-literature

2-[(1,3-Benzo-thia-zol-2-yl)imino-meth-yl]-6-meth-oxy-phenol: a new monoclinic polymorph.

Project description:The title compound, C15H12N2O2S, is a P21/c polymorph of a previously reported P21/n polymorph [Büyükgüngör et al. (2004 ?). Acta Cryst. E60, o1414-o1416]. The dihedral angle between the benzo-thia-zole (r.m.s. deviation = 0.010?Å) and the benzene ring of 7.86?(6)° compares with 10.76?(10)° in the literature structure. The meth-oxy substituent is almost coplanar with the benzene ring to which it is attached [C-O-C-C torsion angle = 178.31?(14)°] and the conformation about the imine bond [1.287?(2)?Å] is E. There is an intra-molecular O-H?N hydrogen bond and the hy-droxy O and thio-ether S atoms are syn. In the crystal, columns are formed along the b axis as centrosymmetric dimeric aggregates, mediated by C-H?O inter-actions and linked by ?-? inter-actions between the thia-zole and benzene rings [centroid-to-centroid distance = 3.8256?(10)?Å].

| S-EPMC3793768 | biostudies-literature

Crystal structure of (E)-2-{[(6-meth-oxy-1,3-benzo-thia-zol-2-yl)imino]-meth-yl}phenol.

Project description:The title compound, C15H12N2O2S, crystallizes in the ortho-rhom-bic space group Pna21 , with two mol-ecules in the asymmetric unit (Z' = 2). Each mol-ecule consists of a 2-hy-droxy Schiff base moiety linked through a spacer to a 2-amino-benzo-thia-zole moiety. Each mol-ecule contains an intra-molecular hydrogen bond between the -OH group and imine N atom, forming a six-membered ring. The two independent molecules are linked by a pair of C-H⋯O hydrogen bonds, forming dimers with an R (2) 2(20) ring motif. These dimers are further lined into sheets in the ab plane by weak inter-molecular C-H⋯N inter-actions. The structure was refined as an inversion twin.

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2-[(3-Bromo-phen-yl)imino-meth-yl]phenol.

Project description:The title compound, C(13)H(10)BrNO, was prepared by reaction of 3-bromo-aniline with 2-hydroxy-benzaldehyde at 377?K. The mol-ecular structure and packing are stabilized by an intra-molecular O-H?N hydrogen-bond inter-action.

| S-EPMC2960578 | biostudies-literature

2-(1,3-Benzothia-zol-2-yl)-6-eth-oxy-phenol.

Project description:In the title compound, C(15)H(13)NO(2)S, the benzothia-zole unit is essentially planar [maximum deviation = -0.0099?(5)?Å for the S atom] and is oriented at a dihedral angle of 4.8?(5)° with respect to the benzene ring. An intra-molecular O-H?N hydrogen bond generates an S(6) ring motif. The crystal packing is stabilized by C-H?? inter-actions.

| S-EPMC3200763 | biostudies-literature

4-Bromo-2-({4-[(hy-droxy-imino)-meth-yl]phen-yl}imino-meth-yl)phenol.

Project description:In the title compound, C(14)H(11)BrN(2)O(2), the mean planes of the two benzene rings are almost parallel to each other, making a dihedral angle of 4.09?(1)°. An intra-molecular O-H?N hydrogen bond occurs. In the crystal, inter-molecular O-H?N and C-H?O hydrogen bonds link the mol-ecules into a chain-like supra-molecular structure.

| S-EPMC3007216 | biostudies-literature

4-Bromo-2-[(phenyl-imino)-meth-yl]phenol.

Project description:The title compound, C13H10BrNO, is essentially planar (r.m.s. deviation = 0.026?Å) and the dihedral angle between the planes of the two aryl rings is 1.5?(3)°. An intra-molecular O-H?N hydrogen bond generates an S(6) ring.

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