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Crystal structure, DFT and Hirshfeld surface analysis of (E)-N'-[(1-chloro-3,4-di-hydro-naph-thal-en-2-yl)methyl-idene]benzohydrazide monohydrate.

ABSTRACT: In the title compound, C18H15ClN2O·H2O, a benzohydrazide derivative, the dihedral angle between the mean plane of the di-hydro-naphthalene ring system and the phenyl ring is 17.1 (2)°. In the crystal, O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds link the benzohydrazide and water mol-ecules, forming a layer parallel to the bc plane. Hirshfeld surface analysis and two-dimensional fingerprint plots indicate that the most important contributions to the crystal packing are from H⋯H (45.7%) and H⋯C/C⋯H (20.2%) contacts.

SUBMITTER: Arjun HA 

PROVIDER: S-EPMC7001828 | biostudies-literature | 2020 Feb

REPOSITORIES: biostudies-literature

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Crystal structure, DFT and Hirshfeld surface analysis of (<i>E</i>)-<i>N</i>'-[(1-chloro-3,4-di-hydro-naph-thal-en-2-yl)methyl-idene]benzohydrazide monohydrate.

Arjun H A HA   Anil Kumar G N GN   Elancheran R R   Kabilan S S  

Acta crystallographica. Section E, Crystallographic communications 20200103 Pt 2

In the title compound, C<sub>18</sub>H<sub>15</sub>ClN<sub>2</sub>O·H<sub>2</sub>O, a benzohydrazide derivative, the dihedral angle between the mean plane of the di-hydro-naphthalene ring system and the phenyl ring is 17.1 (2)°. In the crystal, O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds link the benzohydrazide and water mol-ecules, forming a layer parallel to the <i>bc</i> plane. Hirshfeld surface analysis and two-dimensional fingerprint plots indicate that the most important contributions to the cry  ...[more]

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