Information card for entry 7205042

Structure parameters

• Common name: 2:3 Complex of TNB and Phenazene
• Chemical name: 2:3 Complex of TNB and Phenazene
• Formula: C24 H15 N6 O6
• Calculated formula: C24 H15 N6 O6
• Title of publication: C–H⋯O hydrogen bonds in molecular complexes of 1,3,5-trinitrobenzene with some N-heterocycles
• Authors of publication: Thallapally, Praveen K.; Katz, A. K.; Carrell, H. L.; Desiraju, Gautam R.
• Journal of publication: CrystEngComm
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 18
• Pages of publication: 87
• a: 7.0781 ± 0.0014 Å
• b: 9.7139 ± 0.0019 Å
• c: 15.787 ± 0.003 Å
• α: 86.83 ± 0.03°
• β: 88.33 ± 0.03°
• γ: 83.08 ± 0.03°
• Cell volume: 1075.6 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No