Information card for entry 7249755

Structure parameters

• Common name: Indolizine
• Chemical name: diethyl 3-(4-chlorobenzoyl)-7-methoxyindolizine-1,2-dicarboxylate
• Formula: C22 H20 Cl N O6
• Calculated formula: C22 H20 Cl N O6
• Title of publication: Structural analysis, in vitro anti-tubercular activities, and in silico ADMET evaluation of ethyl 7-methoxy-3-(4-substituted benzoyl)indolizine-1-carboxylates
• Authors of publication: Nagdeve, Rahul D.; Thakur, Jyoti Swarup; Chandrashekharappa, Sandeep; Mondal, Pradip Kumar; Deb, Pran Kishore; Polentarutti, Maurizio; Bairagi, Keshab M.; Rakshit, Gourav; Alwassil, Osama I.; Pillay, Melendhran; Venugopala, Katharigatta N.; Nayak, Susanta K.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 12
• Pages of publication: 1707 - 1721
• a: 9.55 ± 0.0019 Å
• b: 11.38 ± 0.002 Å
• c: 11.47 ± 0.002 Å
• α: 95.07 ± 0.03°
• β: 112.65 ± 0.03°
• γ: 113.02 ± 0.03°
• Cell volume: 1016 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No