Information card for entry 7210966

Structure parameters

• Formula: C14 H15 Cl N2 O
• Calculated formula: C14 H15 Cl N2 O
• SMILES: c1cccc2[nH+]c3ccccc3c(c12)N.[Cl-].OC
• Title of publication: Solvent-bridged frameworks of hydrogen bonds in crystals of 9-aminoacridinium halides
• Authors of publication: Trzybiński, Damian; Sikorski, Artur
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 34
• Pages of publication: 6808
• a: 7.0907 ± 0.001 Å
• b: 9.6958 ± 0.0009 Å
• c: 10.6145 ± 0.0012 Å
• α: 98.732 ± 0.009°
• β: 101.034 ± 0.011°
• γ: 110.132 ± 0.011°
• Cell volume: 653.46 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No