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Information card for entry 7212801
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Coordinates | 7212801.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (S)-2-((2-methylbenzylidene)amino)-2-phenylacetamide |
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Chemical name | (S)-2-((2-methylbenzylidene)amino)-2-phenylacetamide |
Formula | C16 H16 N2 O |
Calculated formula | C16 H16 N2 O |
SMILES | [C@@H](N=Cc1c(cccc1)C)(C(=O)N)c1ccccc1 |
Title of publication | Efficient Havinga‒Kondepudi resolution of conglomerate amino acid derivatives by slow cooling and abrasive grinding |
Authors of publication | Leeman, Michel; Noorduin, Wim L.; Millemaggi, Alessia; Vlieg, Elias; Meekes, Hugo; van Enckevort, Willem J. P.; Kaptein, Bernard; Kellogg, Richard M. |
Journal of publication | CrystEngComm |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 7 |
Pages of publication | 2051 |
a | 5.2025 ± 0.0002 Å |
b | 9.7343 ± 0.0008 Å |
c | 26.324 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1333.12 ± 0.16 Å3 |
Cell temperature | 208 ± 2 K |
Ambient diffraction temperature | 208 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0794 |
Residual factor for significantly intense reflections | 0.0478 |
Weighted residual factors for significantly intense reflections | 0.0829 |
Weighted residual factors for all reflections included in the refinement | 0.0922 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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