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Information card for entry 2239870
Preview
Coordinates | 2239870.cif |
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Structure factors | 2239870.hkl |
Original IUCr paper | HTML |
Chemical name | 5-Amino-5'-chloro-6-(4-chlorobenzoyl)-8-nitro-2,3-dihydro-1<i>H</i>-spiro[imidazo[1,2-<i>a</i>]pyridine-7,3'-indolin]-2'-one |
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Formula | C21 H15 Cl2 N5 O4 |
Calculated formula | C21 H15 Cl2 N5 O4 |
SMILES | C1(=C2N(C(=C(C31C(=O)Nc1c3cc(cc1)Cl)C(=O)c1ccc(cc1)Cl)N)CCN2)N(=O)=O |
Title of publication | Crystal structure of 5-amino-5'-chloro-6-(4-chlorobenzoyl)-8-nitro-2,3-dihydro-1<i>H</i>-spiro[imidazo[1,2-<i>a</i>]pyridine-7,3'-indolin]-2'-one including an unknown solvent molecule |
Authors of publication | Nagalakshmi, R. A.; Suresh, J.; Sivakumar, S.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2014 |
Journal volume | 70 |
Journal issue | 9 |
Pages of publication | o971 - o972 |
a | 12.9805 ± 0.0007 Å |
b | 13.2085 ± 0.0008 Å |
c | 16.7175 ± 0.001 Å |
α | 105.713 ± 0.002° |
β | 103.367 ± 0.002° |
γ | 91.051 ± 0.002° |
Cell volume | 2674.4 ± 0.3 Å3 |
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 all reflections | 0.0916 |
Residual factor for significantly intense reflections | 0.0583 |
Weighted residual factors for significantly intense reflections | 0.1685 |
Weighted residual factors for all reflections included in the refinement | 0.1805 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
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/2239870.html
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