Information card for entry 7117322

Structure parameters

• Common name: 1b
• Chemical name: 7-(diethylamino)-2-oxo-N'-phenyl-2H-chromene-3-carbohydrazide
• Formula: C20 H21 N3 O3
• Calculated formula: C20 H21 N3 O3
• SMILES: O=C(NNc1ccccc1)c1c(=O)oc2c(c1)ccc(N(CC)CC)c2
• Title of publication: A fluorescent probe for hypochlorite based on the modulation of the unique rotation of the N-N single bond in acetohydrazide
• Authors of publication: Lingliang Long; Yanjun Wu; Lin Wang; Aihua Gong; Feilong Hu; Chi Zhang
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 10435
• a: 13.1553 ± 0.0007 Å
• b: 6.9401 ± 0.0004 Å
• c: 21.0792 ± 0.0014 Å
• α: 90°
• β: 109.629 ± 0.005°
• γ: 90°
• Cell volume: 1812.67 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No