Information card for entry 7217563

Structure parameters

• Common name: Urea : 4,4'bipyridine Form II
• 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: 25.07 ± 0.004 Å
• b: 9.1849 ± 0.0015 Å
• c: 4.5943 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1057.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7216706
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No