Information card for entry 7216705

Structure parameters

• Common name: Urea : 4,4'bipyridine Form I
• Formula: C11 H12 N4 O
• Calculated formula: C11 H12 N4 O
• SMILES: c1cc(ccn1)c1ccncc1.C(=O)(N)N
• Title of publication: Polymorphism in cocrystals of urea:4,4′-bipyridine and salicylic acid:4,4′-bipyridine
• Authors of publication: Tothadi, Srinu
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 32
• Pages of publication: 7587
• a: 14.999 ± 0.003 Å
• b: 4.603 ± 0.0009 Å
• c: 16.068 ± 0.003 Å
• α: 90°
• β: 108.53 ± 0.03°
• γ: 90°
• Cell volume: 1051.8 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.254
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No