Information card for entry 7249790

Structure parameters

• Formula: C10 H13 Cl N4
• Calculated formula: C10 H13 Cl N4
• Title of publication: Heterocyclic Core Modifications in Trypanosomacidal 2-[(Phenylheteroaryl)ethyl]ureas
• Authors of publication: Toynton, Arthur; Ferrins, Lori; Newson, Harriet; Sykes, Melissa; Varghese, Swapna; Nguyen, Nghi; Russell, Stephanie; Rahmani, Raphaël; Cheang, Jeremy; Flematti, Gavin; Skelton, Brian W.; Zulfiqar, Bilal; Avery, Vicky Mary; Baell, Jonathan Bayldon; Piggott, Matthew
• Journal of publication: RSC Medicinal Chemistry
• Year of publication: 2025
• a: 5.3663 ± 0.0001 Å
• b: 5.4055 ± 0.0001 Å
• c: 39.3933 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1142.7 ± 0.04 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0508
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0943
• 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