Information card for entry 2230487

Structure parameters

• Chemical name: 4-[4-(Diethylamino)phenyl]-<i>N</i>-methyl-3-nitro-4<i>H</i>-chromen-2-amine
• Formula: C20 H23 N3 O3
• Calculated formula: C20 H23 N3 O3
• SMILES: c12ccccc1C(C(=C(NC)O2)N(=O)=O)c1ccc(N(CC)CC)cc1
• Title of publication: 4-[4-(Diethylamino)phenyl]-<i>N</i>-methyl-3-nitro-4<i>H</i>-chromen-2-amine
• Authors of publication: Muthukumaran, J.; Parthiban, A.; Manivel, P.; Rao, H. Surya Prakash; Krishna, R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1395 - o1396
• a: 8.9199 ± 0.0011 Å
• b: 10.4333 ± 0.0012 Å
• c: 11.6697 ± 0.0008 Å
• α: 65.1 ± 0.009°
• β: 82.388 ± 0.008°
• γ: 69.513 ± 0.011°
• Cell volume: 922.63 ± 0.19 ų
• Cell temperature: 293 ± 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: 0.0684
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1522
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes