Information card for entry 8102171

Structure parameters

• Chemical name: N,N'-dimethylphosphoramidochloridic acid 4-methyl phenyl ester
• Formula: C9 H13 Cl N O2 P
• Calculated formula: C9 H13 Cl N O2 P
• SMILES: ClP(=O)(Oc1ccc(cc1)C)N(C)C
• Title of publication: Crystal structure of N,N-dimethylphosphoramidochloridic acid 4-methylphenyl ester, ClP(O)[N(CH~3~)~2~][OC~6~H~4~(CH~3~)]
• Authors of publication: Ghadimi, Saied; Valmoozi, Ali A. E.; Pourayoubi, Mehrdad
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2007
• Journal volume: 222
• Journal issue: 3
• Pages of publication: 339 - 340
• a: 6.0555 ± 0.0012 Å
• b: 6.8582 ± 0.0014 Å
• c: 14.37 ± 0.003 Å
• α: 98.111 ± 0.005°
• β: 97.798 ± 0.005°
• γ: 105.44 ± 0.005°
• Cell volume: 560 ± 0.2 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No