Information card for entry 7204570

Structure parameters

• Chemical name: bis-2,4-(biphenyl-4-yloxy)-6-chloro-[1,3,5]triazine
• Formula: C27 H18 Cl N3 O2
• Calculated formula: C27 H18 Cl N3 O2
• SMILES: c1(nc(Cl)nc(n1)Oc1ccc(c2ccccc2)cc1)Oc1ccc(c2ccccc2)cc1
• Title of publication: Extremely short intermolecular N(sp2)⋯Cl contact in the bis-2,4-(biphenyl-4-yloxy)-6-chloro-[1,3,5]triazine crystal
• Authors of publication: Báthori, Nikoletta; Bihátsi, László; Bombicz, Petra; Czugler, Mátyás
• Journal of publication: CrystEngComm
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 7
• Pages of publication: 42
• a: 45.207 ± 0.009 Å
• b: 6.465 ± 0.001 Å
• c: 7.416 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2167.4 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CUkα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No