Crystallography Open Database

Information card for entry 1513336

Preview

Coordinates	1513336.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Thalidomide; N-(2,6-dioxo-3-piperidyl)phalimide
Chemical name	rac-2-(2,6-Dioxo-3-piperidinyl)-1H-isoindole-1,3(2H)-dione
Formula	C13 H10 N2 O4
Calculated formula	C13 H10 N2 O4
SMILES	c12c(cccc1)C(=O)N(C2=O)C1C(=O)NC(=O)CC1
Title of publication	Polymorphism of N-(2,6-dioxo-3-piperidyl)pthalimide (thalidomide): Structural characterization of a second monoclinic racemic modification
Authors of publication	Caira, M. R.; Botha, S. A.; Flanagan, D. R.
Journal of publication	Journal of Chemical Crystallography
Year of publication	1994
Journal volume	24
Journal issue	1
Pages of publication	95 - 99
a	20.679 ± 0.005 Å
b	8.042 ± 0.002 Å
c	14.162 ± 0.005 Å
α	90°
β	102.86 ± 0.03°
γ	90°
Cell volume	2296.1 ± 1.2 Å³
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.051
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1513336.cif
174954	2016-01-24	cif/1/51/ (antanas@kurmis) Updating bibliography for entry 1513336.	1513336.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1513336.cif
102369	2014-02-19	cif/ Adding structures of 1513336 via cif-deposit CGI script.	1513336.cif