Information card for entry 4506473

Structure parameters

• Formula: C14 H14 Cl N3 O
• Calculated formula: C14 H14 Cl N3 O
• SMILES: Oc1c(CNc2[nH]c3ccccc3[nH+]2)cccc1.[Cl-]
• Title of publication: Charge-Assisted Complexation of Anions of Different Dimensionality by Benzimidazole-Based Receptors Bearing -OH Functionality
• Authors of publication: Gogoi, Abhijit; Das, Gopal
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 4012
• a: 7.6301 ± 0.0008 Å
• b: 8.0885 ± 0.0008 Å
• c: 10.9791 ± 0.0011 Å
• α: 83.499 ± 0.006°
• β: 84.62 ± 0.006°
• γ: 85.996 ± 0.005°
• Cell volume: 669.06 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0443
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1584
• Weighted residual factors for all reflections included in the refinement: 0.169
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No