Crystallography Open Database

Information card for entry 1513335

Preview

Structure parameters

Common name	N-(alpha-Glutarimido)-phthalimide
Chemical name	Thalidomide
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	Crystal and molecular structure of thalidomide, N-(α-glutarimido)-phthalimide
Authors of publication	Allen, F. H.; Trotter, J.
Journal of publication	Journal of the Chemical Society B: Physical Organic
Year of publication	1971
Pages of publication	1073 - 1079
a	8.233 ± 0.001 Å
b	10.07 ± 0.002 Å
c	14.865 ± 0.002 Å
α	90°
β	102.53 ± 0.02°
γ	90°
Cell volume	1203 ± 0.3 Å³
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.053
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1513335.cif
176428	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1513335.cif
174847	2016-01-23	cif/1/51/ (antanas@kurmis) Updating bibliography for entry 1513335.	1513335.cif
102367	2014-02-19	cif/ Adding structures of 1513335 via cif-deposit CGI script.	1513335.cif