Information card for entry 4349947

Structure parameters

• Chemical name: HL
• Formula: C14 H17 N3 O2
• Calculated formula: C14 H17 N3 O2
• SMILES: Oc1c(OC)cccc1/C=N/CCCn1cncc1
• Title of publication: An imidazole derivative-based chemodosimeter for Zn2+ and Cu2+ ions through “ON–OFF–ON” switching with intracellular Zn2+ detection
• Authors of publication: Ansari, Shagufi N.; Saini, Anoop K.; Kumari, Pratibha; Mobin, Shaikh M.
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 3
• Pages of publication: 736
• a: 7.6721 ± 0.0002 Å
• b: 11.4426 ± 0.0002 Å
• c: 15.8174 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1388.59 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No