Information card for entry 2022722

Structure parameters

• Chemical name: <i>N</i>-{<i>N</i>-[Amino(dimethylamino)methyl]carbamimidoyl}-3-bromobenzenesulfonamide
• Formula: C10 H14 Br N5 O2 S
• Calculated formula: C10 H14 Br N5 O2 S
• Title of publication: Crystal structure and Hirshfeld surface analysis of <i>N</i>-{<i>N</i>-[amino-(di-methyl-amino)-meth-yl]carbamimido-yl}-3-bromo-benzene-sulfonamide.
• Authors of publication: Su, Kexin; Luo, Jiangshui; Van Meervelt, Luc
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 4
• Pages of publication: 367 - 372
• a: 10.3839 ± 0.0005 Å
• b: 11.3296 ± 0.0006 Å
• c: 12.3477 ± 0.0007 Å
• α: 103.393 ± 0.005°
• β: 96.38 ± 0.004°
• γ: 97.934 ± 0.004°
• Cell volume: 1384.1 ± 0.13 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1023
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes