Information card for entry 2223449

Structure parameters

• Chemical name: 4-(2-Chloroethyl)morpholinium picrate
• Formula: C12 H15 Cl N4 O8
• Calculated formula: C12 H15 Cl N4 O8
• SMILES: ClCC[NH+]1CCOCC1.c1(cc(cc(c1[O-])N(=O)=O)N(=O)=O)N(=O)=O
• Title of publication: 4-(2-Chloroethyl)morpholinium picrate
• Authors of publication: Kant, Rajni; Kohli, Sabeta; Sarmal, Lovely; Narayana, B.; Samshuddin, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2435
• a: 8.2063 ± 0.0004 Å
• b: 9.3075 ± 0.0005 Å
• c: 10.2896 ± 0.0006 Å
• α: 93.954 ± 0.005°
• β: 95.284 ± 0.005°
• γ: 90.376 ± 0.004°
• Cell volume: 780.65 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.1792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes