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4-Methyl-benzoic acid-N'-[(E)-4-methyl-benzyl-idene]pyridine-4-carbohydrazide-water (1/1/1).

ABSTRACT: In the title hydrated 1:1 adduct, C(8)H(8)O(2)·C(14)H(13)N(3)O·H(2)O, the Schiff base mol-ecule exists in an E conformation with respect to the N=C bond [1.2843?(13)?Å] and the dihedral angle between the pyridine ring and the benzene ring is 1.04?(5)°. In the crystal, mol-ecules are linked by N-H?O, C-H?O, O-H?O and O-H?N hydrogen bonds into sheets lying parallel to the ab plane. The crystal structure also features ?-? inter-actions with centroid-centroid distances of 3.6224?(6) and 3.7121?(6)?Å.

SUBMITTER: Fun HK 

PROVIDER: S-EPMC3344602 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

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4-Methyl-benzoic acid-N'-[(E)-4-methyl-benzyl-idene]pyridine-4-carbohydrazide-water (1/1/1).

Fun Hoong-Kun HK   Ooi Chin Wei CW   Shetty Divya N DN   Narayana B B   Sarojini B K BK  

Acta crystallographica. Section E, Structure reports online 20120421 Pt 5

In the title hydrated 1:1 adduct, C(8)H(8)O(2)·C(14)H(13)N(3)O·H(2)O, the Schiff base mol-ecule exists in an E conformation with respect to the N=C bond [1.2843 (13) Å] and the dihedral angle between the pyridine ring and the benzene ring is 1.04 (5)°. In the crystal, mol-ecules are linked by N-H⋯O, C-H⋯O, O-H⋯O and O-H⋯N hydrogen bonds into sheets lying parallel to the ab plane. The crystal structure also features π-π inter-actions with centroid-centroid distances of 3.6224 (6) and 3.7121 (6) Å  ...[more]

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