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Information card for entry 2204451
Preview
Coordinates | 2204451.cif |
---|---|
Structure factors | 2204451.hkl |
Original IUCr paper | HTML |
Chemical name | 3'-(2-Chlorophenyl)-1'-methyl-4'nitrospiro[indan-2, 2'-pyrrolidine]-1,3-dione |
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Formula | C19 H15 Cl N2 O4 |
Calculated formula | C19 H15 Cl N2 O4 |
SMILES | Clc1c([C@@H]2C3(N(C[C@H]2N(=O)=O)C)C(=O)c2ccccc2C3=O)cccc1.Clc1c([C@H]2C3(N(C[C@@H]2N(=O)=O)C)C(=O)c2ccccc2C3=O)cccc1 |
Title of publication | 3'-(2-Chlorophenyl)-1'-methyl-4'nitrospiro[indan-2,2'-pyrrolidine]-1,3-dione |
Authors of publication | S. Selvanayagam; D. Velmurugan; K. Ravikumar; S. Narasinga Rao; M. Poornachandran; R. Raghunathan |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2004 |
Journal volume | 60 |
Journal issue | 11 |
Pages of publication | o2157 - o2159 |
a | 13.0966 ± 0.0012 Å |
b | 8.6225 ± 0.0008 Å |
c | 15.7306 ± 0.0014 Å |
α | 90° |
β | 100.045 ± 0.001° |
γ | 90° |
Cell volume | 1749.2 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0427 |
Residual factor for significantly intense reflections | 0.0405 |
Weighted residual factors for significantly intense reflections | 0.1006 |
Weighted residual factors for all reflections included in the refinement | 0.1023 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2204451.html
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