Information card for entry 2312021

Structure parameters

• Chemical name: 2,2'-Bipyrrole
• Formula: C8 H8 N2
• Calculated formula: C8 H8 N2
• SMILES: c1[nH]c(c2[nH]ccc2)cc1
• Title of publication: Crystal structure of 2,2'-bi-pyrrole.
• Authors of publication: Michaels, Christopher A.; Zakharov, Lev N.; Lamm, Ashley N.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 10
• Pages of publication: 1517 - 1519
• a: 5.95 ± 0.0002 Å
• b: 6.765 ± 0.0002 Å
• c: 8.4363 ± 0.0003 Å
• α: 90°
• β: 96.746 ± 0.002°
• γ: 90°
• Cell volume: 337.225 ± 0.019 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes