Information card for entry 2101543

Structure parameters

• Formula: C11 H14 N6
• Calculated formula: C11 H14 N6
• SMILES: NC(=N/N=C1\CCc2c1cccc2C(=N)N)N
• Title of publication: Crystal packing calculations and Rietveld refinement in elucidating the crystal structures of two modifications of 4-amidinoindanone guanylhydrazone
• Authors of publication: Karfunkel, H. R.; Wu, Z. J.; Burkhard, A.; Rihs, G.; Sinnreich, D.; Buerger, H. M.; Stanek, J.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 555 - 561
• a: 8.09 ± 0.001 Å
• b: 7.929 ± 0.001 Å
• c: 17.518 ± 0.002 Å
• α: 90°
• β: 90 ± 0.01°
• γ: 90°
• Cell volume: 1123.7 ± 0.2 ų
• Cell temperature: 296 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 significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.063
• Goodness-of-fit parameter for significantly intense reflections: 1.18
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No