Information card for entry 8105242

Structure parameters

• Formula: C15 H16 Cl N5 O5
• Calculated formula: C15 H16 Cl N5 O5
• SMILES: Cl(=O)(=O)(=O)[O-].OC.n1cccnc1N/N=C/c1[nH+]c2c(cc1)cccc2
• Title of publication: Crystal structure of (E)-2-((2-(pyrimidin-2-yl)hydrazono)methyl)quinolin-1-ium perchlorate – methanol (1/1), C15H16N5O5Cl
• Authors of publication: Yang, Huanhuan; Shi, Fanyu; Xu, Qingqing; Wang, Jinghai; Xing, Ai-Ping
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 3
• Pages of publication: 635 - 637
• a: 7.3721 ± 0.0001 Å
• b: 13.30639 ± 0.00019 Å
• c: 17.1682 ± 0.0002 Å
• α: 90°
• β: 97.2301 ± 0.0012°
• γ: 90°
• Cell volume: 1670.74 ± 0.04 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 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: 0.0388
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No