Information card for entry 7230960

Structure parameters

• Formula: C9 H9 Cl N4 O3
• Calculated formula: C9 H9 Cl N4 O3
• Title of publication: Imido-substituted triazines as dehydrative condensing reagents for the chemoselective formation of amides in the presence of free hydroxy groups
• Authors of publication: Kitamura, Masanori; Sasaki, Suguru; Nishikawa, Riho; Yamada, Kohei; Kunishima, Munetaka
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 40
• Pages of publication: 22482
• a: 7.3141 ± 0.0009 Å
• b: 15.403 ± 0.0017 Å
• c: 10.0589 ± 0.001 Å
• α: 90°
• β: 107.288 ± 0.008°
• γ: 90°
• Cell volume: 1082 ± 0.2 ų
• Cell temperature: 143 K
• Ambient diffraction temperature: 143 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: 0.0445
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No