Crystallography Open Database

Information card for entry 2204451

2204450 << 2204451 >> 2204452

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Structure parameters

Chemical name	3'-(2-Chlorophenyl)-1'-methyl-4'nitrospiro[indan-2, 2'-pyrrolidine]-1,3-dione
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 F_obs	Yes

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