Information card for entry 7117321

Structure parameters

• Common name: 1a
• Chemical name: 7-(diethylamino)-2-oxo-2H-chromene-3-carbohydrazide
• Formula: C14 H17 N3 O3
• Calculated formula: C14 H17 N3 O3
• SMILES: N(CC)(CC)c1ccc2c(oc(=O)c(c2)C(=O)NN)c1
• 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: 9.212 ± 0.0018 Å
• b: 12.624 ± 0.003 Å
• c: 12.927 ± 0.003 Å
• α: 94.78 ± 0.03°
• β: 109.99 ± 0.03°
• γ: 105.42 ± 0.03°
• Cell volume: 1336.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No