Information card for entry 1546611

Structure parameters

• Formula: C15 Cl2 N3 O
• Calculated formula: C15 Cl2 N3 O
• SMILES: Clc1ccc(c2c(c3ccc(Cl)cc3)nn[nH]2)cc1.OC
• Title of publication: Transition Metal, Azide, and Oxidant-Free Homo- and Heterocoupling of Ambiphilic Tosylhydrazones to the Regioselective Triazoles and Pyrazoles.
• Authors of publication: Panda, Subhankar; Maity, Pradip; Manna, Debasis
• Journal of publication: Organic letters
• Year of publication: 2017
• a: 20.604 ± 0.002 Å
• b: 11.3027 ± 0.0011 Å
• c: 16.5652 ± 0.0016 Å
• α: 90°
• β: 127.042 ± 0.005°
• γ: 90°
• Cell volume: 3079.2 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0963
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1706
• Weighted residual factors for all reflections included in the refinement: 0.1836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No