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7-Chloro-4-[(E)-2-(4-methoxy-benzyl-idene)hydrazin-1-yl]quinoline monohydrate.

ABSTRACT: The organic mol-ecule in the title hydrate, C(17)H(14)ClN(3)O·H(2)O, has a small but significant twist from planarity, as seen in the dihedral angle of 12.10?(17)° between the quinoline and benzene rings. The conformation about the C=N bond is E. Chains along the b axis are formed in the crystal structure aided by water-quinoline O-H?N (× 2) and hydrazone-water N-H?O hydrogen bonds. Layers of these chains stack along the a axis via C-H?? and ?-? inter-actions [ring centroid-ring centroid distance = 3.674?(2)?Å]. C-H?O inter-actions are also present.

SUBMITTER: de Lima Ferreira M

PROVIDER: S-EPMC2983656 | biostudies-literature | 2010 Feb

REPOSITORIES: biostudies-literature

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7-Chloro-4-[(E)-2-(4-methoxy-benzyl-idene)hydrazin-1-yl]quinoline monohydrate.

de Lima Ferreira Marcelle M de Souza Marcus V N MV Howie R Alan RA Tiekink Edward R T ER Wardell James L JL Wardell Solange M S V SM

Acta crystallographica. Section E, Structure reports online 20100227 Pt 3

The organic mol-ecule in the title hydrate, C(17)H(14)ClN(3)O·H(2)O, has a small but significant twist from planarity, as seen in the dihedral angle of 12.10 (17)° between the quinoline and benzene rings. The conformation about the C=N bond is E. Chains along the b axis are formed in the crystal structure aided by water-quinoline O-H⋯N (× 2) and hydrazone-water N-H⋯O hydrogen bonds. Layers of these chains stack along the a axis via C-H⋯π and π-π inter-actions [ring centroid-ring centroid distanc ...[more]

PMID: 21580437

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7-Chloro-4-[(E)-2-(2-methoxy-benzyl-idene)hydrazin-1-yl]quinoline monohydrate.

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Crystal structure of (E)-N-{2-[2-(2-chloro-benzyl-idene)hydrazin-1-yl]-2-oxoeth-yl}-4-methyl-benzamide monohydrate.

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Project description:In the title hydrated salt, C(16)H(12)Cl(2)N(3) (+)·Cl(-)·H(2)O, there is a small twist in the cation as seen in the torsion angle linking the benzene ring to the rest of the mol-ecule [171.96?(17)°]. In the crystal, the quinolinium H atom forms a hydrogen bond to the lattice water mol-ecule, which also forms hydrogen bonds to two Cl(-) anions. Each Cl(-) ion also accepts a hydrogen bond from the hydrazine H atom. The three-dimensional architecture is also stabilized by ?-? inter-actions between centrosymmetrically related quinoline residues [centroid-centroid distance = 3.5574?(11)?Å].

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