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

ABSTRACT: 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].

SUBMITTER: Yousuf S

PROVIDER: S-EPMC3470231 | biostudies-literature | 2012 Oct

REPOSITORIES: biostudies-literature

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

Yousuf Sammer S Shah Shazia S Ambreen Nida N Khan Khalid M KM Ahmad Shakil S

Acta crystallographica. Section E, Structure reports online 20120908 Pt 10

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]. ...[more]

PMID: 23125675

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

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Project description: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.

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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].

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

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