Abstract

In the title isoniazid derivative, C13H11N3O4·2H2O, the Schiff base mol­ecule exists in an E configuration with respect to the acyclic C=N bond. An intra­molecular O—H⋯N hydrogen bond forms a six-membered ring, producing an S(6) ring motif. The essentially planar pyridine ring [maximum deviation = 0.0119 (8) Å] is inclined at a dihedral angle of 7.30 (4)° with respect to the benzene ring. In the crystal, inter­molecular O—H⋯N, O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds link the mol­ecules into two-dimensional arrays lying parallel to the (10) plane. These arrays are further inter­connected into a three-dimensional extended network via O—H⋯O and C—H⋯O hydrogen bonds. A weak inter­molecular π–π inter­action [centroid-to-centroid distance = 3.5627 (5) Å] is also observed.

Highlights

  • In the title isoniazid derivative, C13H11N3O42H2O, the Schiff base molecule exists in an E configuration with respect to the acyclic C N bond

  • H N, O—H O, N—H O and C—H O hydrogen bonds link the molecules into two-dimensional arrays lying parallel to the (101) plane. These arrays are further interconnected into a three-dimensional extended network via O—H O and

  • For the stability of the temperature controller used for the data collection, see: Cosier & Glazer (1986)

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Summary

Experimental a

In the title isoniazid derivative, C13H11N3O42H2O, the Schiff base molecule exists in an E configuration with respect to the acyclic C N bond. An intramolecular O—H N hydrogen bond forms a six-membered ring, producing an S(6) ring motif. 0.0119 (8) Å] is inclined at a dihedral angle of 7.30 (4) with respect to the benzene ring. H N, O—H O, N—H O and C—H O hydrogen bonds link the molecules into two-dimensional arrays lying parallel to the (101) plane. These arrays are further interconnected into a three-dimensional extended network via O—H O and. A weak intermolecular – interaction [centroid-to-centroid distance = 3.5627 (5) Å] is observed

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