title: Synthesis, Crystal Structures and Urease Inhibition of N'-(2-Bromobenzylidene)-2-(4-nitrophenoxy) acetohydrazide and N'-(4-Nitrobenzylidene) -2-(4-nitrophenoxy)acetohydrazide.
abstract: Two new hydrazone compounds, N'-(2-bromobenzylidene)-2-(4-nitrophenoxy)acetohydrazide (1) and N'-(4-nitrobenzylidene)-2-(4-nitrophenoxy)acetohydrazide (2), were prepared and structurally characterized by elemental analysis, IR, UV-Vis and (1)H NMR spectroscopy, and single-crystal X-ray diffraction. Compound 1 crystallizes in the monoclinic space group P2(1)/n with unit cell dimensions of a = 5.3064(5) Å, b = 18.202(2) Å, c = 15.970(2) Å, β = 95.866(3)º, V = 1534.4(2) Å(3), Z = 4, R(1) = 0.0457, and wR(2) = 0.0975. Compound 2 crystallizes in the monoclinic space group P2(1)/c with unit cell dimensions of a = 4.6008(7) Å, b = 14.451(2) Å, c = 23.296(3) Å, β = 93.620(2)º, V = 1545.8(4) Å(3), Z = 4, R(1) = 0.0441, and wR2 = 0.0985. Structures of the compounds are stabilized by hydrogen bonds and π···π interactions. The urease inhibitory activities of the compounds were studied. Both compounds show strong urease inhibitory activities, with IC(50) values of 8.4 and 20.2 μM, respectively.
authors.forename: Gui-Hua
authors.initials: GH
authors.lastname: Sheng
authors.forename: Xiang-Fei
authors.initials: XF
authors.lastname: Chen
authors.forename: Jian
authors.initials: J
authors.lastname: Li
authors.forename: Jie
authors.initials: J
authors.lastname: Chen
authors.forename: Ying
authors.initials: Y
authors.lastname: Xu
authors.forename: Yan-Wei
authors.initials: YW
authors.lastname: Han
authors.forename: Ting
authors.initials: T
authors.lastname: Yang
authors.forename: Zhonglu
authors.initials: Z
authors.lastname: You
authors.forename: Hai-Liang
authors.initials: HL
authors.lastname: Zhu
mesh_terms: D001597:Benzylidene Compounds / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology; D018360:Crystallography, X-Ray; D004791:Enzyme Inhibitors / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology; D006835:Hydrazones / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology; D062105:Molecular Docking Simulation; D014510:Urease / Q000037:antagonists & inhibitors*
chemical_list: D001597:Benzylidene Compounds; D004791:Enzyme Inhibitors; D006835:Hydrazones; C000605029:N'-(2-bromobenzylidene)-2-(4-nitrophenoxy)acetohydrazide; C000605030:N'-(4-nitrobenzylidene)-2-(4-nitrophenoxy)acetohydrazide; D014510:Urease