Information card for entry 1572991

Structure parameters

• Chemical name: (1<i>H</i>-Benzodiazol-2-ylmethyl)diethylamine
• Formula: C12 H17 N3
• Calculated formula: C12 H17 N3
• Title of publication: (1H-Benzodiazol-2-ylmethyl)diethylamine
• Authors of publication: Khamrang, Themmila; Kannan, A.; Hemamalini, Madhukar; Tahir, Muhammad Nawaz; Antony, G. Jerald Maria; Saravanan, Dhandayutham
• Journal of publication: IUCrData
• Year of publication: 2024
• Journal volume: 9
• Journal issue: 10
• Pages of publication: x241006
• a: 7.929 ± 0.0007 Å
• b: 15.3027 ± 0.0015 Å
• c: 10.0486 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1219.25 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.139
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No