Information card for entry 7210963

Structure parameters

• Formula: C13 H13 Cl N2 O
• Calculated formula: C13 H13 Cl N2 O
• SMILES: c1cccc2[nH+]c3ccccc3c(c12)N.[Cl-].O
• 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: 7.8765 ± 0.0007 Å
• b: 8.8951 ± 0.0008 Å
• c: 9.798 ± 0.0009 Å
• α: 111.508 ± 0.008°
• β: 96.724 ± 0.007°
• γ: 103.525 ± 0.008°
• Cell volume: 605.15 ± 0.11 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: 0.0412
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No