Information card for entry 7123178

Structure parameters

• Common name: NDS-301
• Chemical name: 1-(3-fluorobenzyl)-2-isopropyl-1H-benzo[d]imidazole-5-carboxylic acid
• Formula: C18 H17 F N2 O2
• Calculated formula: C18 H17 F N2 O2
• Title of publication: 3D QSAR-based design and liquid phase combinatorial synthesis of 1,2-disubstituted benzimidazole-5-carboxylic acid and 3-substituted-5<i>H</i>-benzimidazo[1,2-<i>d</i>][1,4]benzodiazepin-6(7<i>H</i>)-one derivatives as anti-mycobacterial agents.
• Authors of publication: Sitwala, Nikum D.; Vyas, Vivek K.; Gedia, Piyush; Patel, Kinjal; Bouzeyen, Rania; Kidwai, Saqib; Singh, Ramandeep; Ghate, Manjunath D.
• Journal of publication: MedChemComm
• Year of publication: 2019
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 817 - 827
• a: 10.0539 ± 0.0009 Å
• b: 10.6527 ± 0.001 Å
• c: 14.9435 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1600.5 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No