{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["68(Pt 10)"],"submitter":["Reshma PR"],"pubmed_abstract":["In the title compound, C(16)H(15)BrN(2)O(4)·H(2)O, the hydrazide mol-ecule is nearly planar, with a largest deviation from the mean plane through the non-H atoms of 0.106 (4) Å and a dihedral angle between the benzene rings of 1.98 (16)°. This mol-ecule adopts an E conformation about the C=N bond and an intra-molecular O-H⋯N hydrogen bond increases the rigidity. In the crystal, some mol-ecules of the title hydrazide are replaced by mol-ecules of its 6-bromo isomer, and the Br atom from this admixture mol-ecule was refined to give a partial occupancy of 0.0523 (13). The hydrazide and water mol-ecules are linked through classical N-H⋯O and O-H⋯O hydrogen bonds, forming layers parallel to (110). C-H⋯π inter-actions are also present."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o2821-2"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3470184"],"repository":["biostudies-literature"],"pubmed_title":["N'-[(E)-5-Bromo-2-hy-droxy-3-meth-oxy-benzyl-idene]-4-meth-oxy-benzohydrazide monohydrate."],"pmcid":["PMC3470184"],"pubmed_authors":["Reshma PR","Sithambaresan M","Kurup MR"],"additional_accession":[]},"is_claimable":false,"name":"N'-[(E)-5-Bromo-2-hy-droxy-3-meth-oxy-benzyl-idene]-4-meth-oxy-benzohydrazide monohydrate.","description":"In the title compound, C(16)H(15)BrN(2)O(4)·H(2)O, the hydrazide mol-ecule is nearly planar, with a largest deviation from the mean plane through the non-H atoms of 0.106 (4) Å and a dihedral angle between the benzene rings of 1.98 (16)°. This mol-ecule adopts an E conformation about the C=N bond and an intra-molecular O-H⋯N hydrogen bond increases the rigidity. In the crystal, some mol-ecules of the title hydrazide are replaced by mol-ecules of its 6-bromo isomer, and the Br atom from this admixture mol-ecule was refined to give a partial occupancy of 0.0523 (13). The hydrazide and water mol-ecules are linked through classical N-H⋯O and O-H⋯O hydrogen bonds, forming layers parallel to (110). C-H⋯π inter-actions are also present.","dates":{"release":"2012-01-01T00:00:00Z","publication":"2012 Oct","modification":"2025-04-19T15:52:43.186Z","creation":"2019-03-27T00:59:01Z"},"accession":"S-EPMC3470184","cross_references":{"pubmed":["23125628"],"doi":["10.1107/S1600536812033806"]}}