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

ABSTRACT: 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.

SUBMITTER: Lakshmanan D

PROVIDER: S-EPMC3200763 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature

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

Lakshmanan D D Raj R Madhan RM Selvakumar R R Bakthadoss M M Murugavel S S

Acta crystallographica. Section E, Structure reports online 20110806 Pt 9

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⋯π inter-actions. ...[more]

PMID: 22058918

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An ortho-rhom-bic polymorph of 2-(1,3-benzothia-zol-2-yl)-6-eth-oxy-phenol.

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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.

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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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