Information card for entry 7228721

Structure parameters

• Formula: C9 H16 Cl N5
• Calculated formula: C9 H16 Cl N5
• Title of publication: Controlling the distance between hydrogen-bonded chloro-s-triazine tapes: crystal engineering using N-alkyl chains and the influence of temperature
• Authors of publication: Aldilla, Vina Rizki; Bhadbhade, Mohan; Bhattacharyya, Saroj; Kumar, Naresh; Rich, Anne M.; Marjo, Christopher
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 5.1163 ± 0.0011 Å
• b: 10.011 ± 0.002 Å
• c: 12.451 ± 0.002 Å
• α: 93.943 ± 0.009°
• β: 96.452 ± 0.009°
• γ: 100.613 ± 0.009°
• Cell volume: 620.2 ± 0.2 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1136
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.2053
• Weighted residual factors for all reflections included in the refinement: 0.2418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No