Information card for entry 7057437

Structure parameters

• Chemical name: 1-chloroethylene-5-chloro-1,9-pyrazoloanthrone
• Formula: C16 H10 Cl2 N2 O
• Calculated formula: C16 H10 Cl2 N2 O
• Title of publication: Structural and biological evaluation of halogen derivatives of 1,9-pyrazoloanthrones towards the design of a specific potent inhibitor of c-Jun-N-terminal kinase (JNK)
• Authors of publication: Ganduri, Ramesh; Singh, Vikas; Biswas, Ansuman; Karothu, Durga Prasad; Sekar, Kanagaraj; Balaji, Kithiganahalli N.; Guru Row, Tayur N.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 13
• Pages of publication: 10651
• a: 6.7039 ± 0.0005 Å
• b: 14.589 ± 0.001 Å
• c: 13.9378 ± 0.0009 Å
• α: 90°
• β: 96.283 ± 0.006°
• γ: 90°
• Cell volume: 1354.97 ± 0.16 ų
• Cell temperature: 100.08 ± 0.02 K
• Ambient diffraction temperature: 100.08 ± 0.02 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1271
• Residual factor for significantly intense reflections: 0.0964
• Weighted residual factors for significantly intense reflections: 0.2226
• Weighted residual factors for all reflections included in the refinement: 0.2391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No