Information card for entry 2225468

Structure parameters

• Chemical name: 4-Chloro-7-methoxymethyl-2-phenyl-7<i>H</i>-pyrrolo[2,3-<i>b</i>]pyridine
• Formula: C15 H13 Cl N2 O
• Calculated formula: C15 H13 Cl N2 O
• SMILES: Clc1c2cc(nc2n(cc1)COC)c1ccccc1
• Title of publication: 4-Chloro-7-methoxymethyl-2-phenyl-7<i>H</i>-pyrrolo[2,3-<i>b</i>]pyridine
• Authors of publication: Selig, Roland; Schollmeyer, Dieter; Albrecht, Wolfgang; Laufer, Stefan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o822
• a: 8.4785 ± 0.0008 Å
• b: 9.6576 ± 0.001 Å
• c: 15.856 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1298.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes