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Crystal structure, DFT and Hirshfeld surface analysis of (E)-N?-[(1-chloro-3,4-dihydronaphthalen-2-yl)methylidene]benzohydrazide monohydrate.

ABSTRACT: In the title compound, C18H15ClN2O·H2O, a benzohydrazide derivative, the dihedral angle between the mean plane of the dihydronaphthalene 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 molecules, 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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