Crystallography Open Database

Information card for entry 2311301

Preview

Coordinates	2311301.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	1'-Ethylspiro[chroman-4,4'-imidazolidine]-2',5'-dione
Formula	C13 H14 N2 O3
Calculated formula	C13 H14 N2 O3
SMILES	O1c2ccccc2C2(C(=O)N(CC)C(=O)N2)CC1
Title of publication	Crystal structure of 1'-ethyl-spiro[chroman-4,4'-imidazolidine]-2',5'-dione: a hydantoine derivative.
Authors of publication	Benaka Prasad, S. B.; Naveen, S.; Madaiah, M.; Lokanath, N. K.; Warad, Ismail; Abdoh, Muneer
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2015
Journal volume	71
Journal issue	Pt 10
Pages of publication	o705 - 6
a	10.2314 ± 0.0016 Å
b	11.0693 ± 0.0018 Å
c	11.3254 ± 0.0019 Å
α	91.736 ± 0.008°
β	98.695 ± 0.008°
γ	105.345 ± 0.008°
Cell volume	1219.4 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0999
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.1704
Weighted residual factors for all reflections included in the refinement	0.1853
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
245774 (current)	2019-12-25	cif/ Adding structures of 2311301 via cif-deposit CGI script.	2311301.cif