Urea

(Last updated April 2026)

Embedded image

Figure . The molecular diagram of Urea.

CSP studies

REFCODE	UREAXX
Formula	C1 H4 N2 O1
Common Name	Urea
IUPAC Systematic Name	Urea
Other Names
CSD Refcodes	UREAXX25, UREAXX26, UREAXX27

Search Identifier	A
Scientist	Stephen Tendyra
Date	2016
Publication	With Matteo Salvalaglio
Energy model	2
Study_ID	10
Programs	Study_ID=20, CrystalOptimizer, DMACRYS (2.2.0.1)
Location on S Drive	\\CHEMISTRY_CPOSS\\Urea\\CrystOpt
Potential Description	CrystalOptimizer with GDMA2.2(PBE1PBE/aug-cc-pVTz) + FIT
Intramolecular Description	PBE1PBE aug-cc-pVTz
Energy model	1
Study_ID	20
Programs	Rigid CrystalPredictor, DMACRYS (2.2.0.1)
Location on S Drive	\\CHEMISTRY_CPOSS\\Urea\\CP_DMACRYS
Potential Description	GDMA2.2(PBE1PBE/aug-cc-pVTz) + FIT
Intramolecular Description	PBE0/aug-cc-pVTz

Embedded image

Figure . Crystal energy landscape of Urea from previous work.

CSD structures (CSD version 6.01 with Feb 2026 update)

Table . Crystallographic information for CSD entries for Urea. Different polymorphs are coloured differently.

REFCODE	space group	Z’	a / Å	b / Å	c / Å	α / °	β / °	γ / °	density / g cm^-3	Form
UREAXX	P-421m	0.25	5.662	5.662	4.716	90.0	90.0	90.0	1.3192	polymorph I
UREAXX01	P-421m	0.25	5.582	5.582	4.686	90.0	90.0	90.0	1.3659	polymorph I
UREAXX02	P-421m	0.25	5.589	5.589	4.6947	90.0	90.0	90.0	1.3600	polymorph I
UREAXX04	P-421m	0.25	5.57600	5.57600	4.686	90.0	90.0	90.0	1.3689	polymorph I
UREAXX07	P-421m	0.25	5.57600	5.57600	4.686	90.0	90.0	90.0	1.3689	polymorph I
UREAXX08	P-421m	0.25	5.578	5.578	4.695	90.0	90.0	90.0	1.3653	polymorph I
UREAXX09	P-421m	0.25	5.64500	5.64500	4.704	90.0	90.0	90.0	1.3305	polymorph I
UREAXX10	P-421m	0.25	5.578	5.578	4.695	90.0	90.0	90.0	1.3653	polymorph I
UREAXX11	P-421m	0.25	5.572	5.572	4.686	90.0	90.0	90.0	1.3708	polymorph I
UREAXX12	P-421m	0.25	5.565	5.565	4.684	90.0	90.0	90.0	1.3749	polymorph I
UREAXX13	P-421m	0.25	5.57	5.57	4.688	90.0	90.0	90.0	1.3712	polymorph I
UREAXX14	P-421m	0.25	5.58400	5.58400	4.689	90.0	90.0	90.0	1.3641	polymorph I
UREAXX22	P-421m	0.25	5.66100	5.66100	4.712	90.0	90.0	90.0	1.3208	polymorph I
UREAXX23	P-421m	0.25	5.6577	5.6577	4.7042	90.0	90.0	90.0	1.3245	polymorph I
UREAXX24	P-421m	0.25	5.589	5.589	4.68	90.0	90.0	90.0	1.3643	polymorph I
UREAXX25	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX26	P21212	0.5	3.414	7.36	4.606	90.0	90.0	90.0	1.7233	polymorph IV
UREAXX27	P212121	1.0	3.539	8.234	8.79000	90.0	90.0	90.0	1.5573	polymorph III
UREAXX28	P212121	1.0	3.62350	8.272	8.844	90.0	90.0	90.0	1.5047	polymorph III
UREAXX29	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX30	P-421m	0.25	5.638	5.638	4.714	90.0	90.0	90.0	1.3310	Phase I polymorph
UREAXX31	P-421m	0.25	5.622	5.622	4.672	90.0	90.0	90.0	1.3506	Phase I polymorph
UREAXX32	P212121	1.0	3.62350	8.272	8.844	90.0	90.0	90.0	1.5047	Phase III polymorph
UREAXX33	P212121	1.0	3.589	8.252	8.833	90.0	90.0	90.0	1.5248	Phase III polymorph
UREAXX34	P212121	1.0	3.5299	8.236	8.785	90.0	90.0	90.0	1.5618	Phase III polymorph
UREAXX35	P212121	1.0	3.41700	8.162	8.87000	90.0	90.0	90.0	1.6124	Phase III polymorph
UREAXX36	P212121	1.0	3.4279	8.125	8.795	90.0	90.0	90.0	1.6284	Phase III polymorph
UREAXX37	P212121	1.0	3.4201	8.145	8.75800	90.0	90.0	90.0	1.6350	Phase III polymorph
UREAXX38	P21212	0.5	3.40800	7.363	4.64800	90.0	90.0	90.0	1.7100	Phase IV polymorph
UREAXX39	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX40	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX41	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX42	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX43	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX44	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX45	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX46	P-421m	0.25	5.64300	5.64300	4.69910	90.0	90.0	90.0	1.3328	polymorph I
UREAXX47	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX48	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX49	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX50	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX51	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX52	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX53	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX54	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX55	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX56	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX57	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX58	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX59	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX60	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX61	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX62	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX63	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX64	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX65	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX66	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX67	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX68	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX69	P-421m	0.25	5.6482	5.6482	4.7026	90.0	90.0	90.0	1.3294	polymorph I
UREAXX70	P-421m	0.25	5.596	5.596	4.7164	90.0	90.0	90.0	1.3504	polymorph I
UREAXX71	P-421m	0.25	5.596	5.596	4.7164	90.0	90.0	90.0	1.3504	polymorph I
UREAXX72	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX73	P-421m	0.25	5.58850	5.58850	4.6893	90.0	90.0	90.0	1.3618	polymorph I
UREAXX74	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX75	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX76	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX77	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX78	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX79	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX80	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX81	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX82	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX83	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX84	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX85	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX86	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I
UREAXX87	P-421m	0.25	5.578	5.578	4.686	90.0	90.0	90.0	1.3679	polymorph I

Table . Experimental information for CSD entries for Urea.

REFCODE	space group	R factor	T / K	Year	Comments
UREAXX	P-421m	5.8	None	1961	10.1107/S0365110X61002187
UREAXX01	P-421m	5.9	at -140 deg.C	1961	10.1107/S0365110X61002187
UREAXX02	P-421m	0.5	at 148 K	1999	10.1107/S0108768198005746
UREAXX04	P-421m	1.5	123 K	1978	10.1107/S0567740878006172
UREAXX07	P-421m	1.06	at 123 K	1980	10.1107/S0567740880006693
UREAXX08	P-421m	3.0	at 123 K	1980	None
UREAXX09	P-421m	4.0	None	1980	None
UREAXX10	P-421m	None	at 100 K	1980	None
UREAXX11	P-421m	1.900	at 60 K	1980	None
UREAXX12	P-421m	2.5	at 12K	1984	10.1107/S0108768184002135
UREAXX13	P-421m	2.5	at 60 K	1984	10.1107/S0108768184002135
UREAXX14	P-421m	2.800	at 123 K	1984	10.1107/S0108768184002135
UREAXX22	P-421m	None	None	1969	10.1107/S0567740869002330
UREAXX23	P-421m	3.39	at 293 K	2005	None
UREAXX24	P-421m	6.45	296 K	2009	10.1021/jp904942c
UREAXX25	P-421m	1.04	123 K	2004	10.1107/S0108767304015120
UREAXX26	P21212	3.32	296 K	2009	10.1021/jp904942c
UREAXX27	P212121	3.44	296 K	2009	10.1021/jp904942c
UREAXX28	P212121	5.38	296 K	2009	10.1021/jp904942c
UREAXX29	P-421m	1.21	123 K	2016	10.1126/sciadv.1600192
UREAXX30	P-421m	3.53	296 K	2017	10.1021/acs.jpcc.6b11454
UREAXX31	P-421m	3.0	296 K	2017	10.1021/acs.jpcc.6b11454
UREAXX32	P212121	5.390	296 K	2017	10.1021/acs.jpcc.6b11454
UREAXX33	P212121	3.95	296 K	2017	10.1021/acs.jpcc.6b11454
UREAXX34	P212121	4.88	296 K	2017	10.1021/acs.jpcc.6b11454
UREAXX35	P212121	9.99	296 K	2017	10.1021/acs.jpcc.6b11454
UREAXX36	P212121	5.81	296 K	2017	10.1021/acs.jpcc.6b11454
UREAXX37	P212121	4.04	296 K	2017	10.1021/acs.jpcc.6b11454
UREAXX38	P21212	5.36	296 K	2017	10.1021/acs.jpcc.6b11454
UREAXX39	P-421m	3.139	293 K	2016	10.1107/S2053273315024699
UREAXX40	P-421m	2.96	293 K	2016	10.1107/S2053273315024699
UREAXX41	P-421m	4.06	293 K	2016	10.1107/S2053273315024699
UREAXX42	P-421m	3.51	293 K	2016	10.1107/S2053273315024699
UREAXX43	P-421m	3.44	293 K	2016	10.1107/S2053273315024699
UREAXX44	P-421m	3.0	293 K	2016	10.1107/S2053273315024699
UREAXX45	P-421m	2.570	293 K	2016	10.1107/S2053273315024699
UREAXX46	P-421m	2.78	293 K	2020	None
UREAXX47	P-421m	1.37	123 K	2020	10.1107/S2052252520013603
UREAXX48	P-421m	1.46	123 K	2020	10.1107/S2052252520013603
UREAXX49	P-421m	1.559	123 K	2020	10.1107/S2052252520013603
UREAXX50	P-421m	1.37	123 K	2020	10.1107/S2052252520013603
UREAXX51	P-421m	1.359	123 K	2020	10.1107/S2052252520013603
UREAXX52	P-421m	1.359	123 K	2020	10.1107/S2052252520013603
UREAXX53	P-421m	1.37	123 K	2020	10.1107/S2052252520013603
UREAXX54	P-421m	1.51	123 K	2020	10.1107/S2052252520013603
UREAXX55	P-421m	1.420	123 K	2020	10.1107/S2052252520013603
UREAXX56	P-421m	1.359	123 K	2020	10.1107/S2052252520013603
UREAXX57	P-421m	1.6	123 K	2020	10.1107/S2052252520013603
UREAXX58	P-421m	1.69	123 K	2020	10.1107/S2052252520013603
UREAXX59	P-421m	1.51	123 K	2020	10.1107/S2052252520013603
UREAXX60	P-421m	1.34	123 K	2020	10.1107/S2052252520013603
UREAXX61	P-421m	1.37	123 K	2020	10.1107/S2052252520013603
UREAXX62	P-421m	1.37	123 K	2020	10.1107/S2052252520013603
UREAXX63	P-421m	1.38	123 K	2020	10.1107/S2052252520013603
UREAXX64	P-421m	1.53	123 K	2020	10.1107/S2052252520013603
UREAXX65	P-421m	1.79	123 K	2020	10.1107/S2052520620002917
UREAXX66	P-421m	1.71	123 K	2020	10.1107/S2052520620002917
UREAXX67	P-421m	1.31	123 K	2020	10.1107/S2052520620002917
UREAXX68	P-421m	1.08	123 K	2020	10.1107/S2052520620002917
UREAXX69	P-421m	3.980	293 K	2020	10.1002/cphc.201901024
UREAXX70	P-421m	17.56	81 K	2024	10.1107/S2053229624005357
UREAXX71	P-421m	16.28	81 K	2024	10.1107/S2053229624005357
UREAXX72	P-421m	1.17	123 K	2023	10.1063/5.0138312
UREAXX73	P-421m	2.68	150 K	2024	10.1021/acs.jchemed.4c00797
UREAXX74	P-421m	1.35	123 K	2025	10.1107/S2052252524011242
UREAXX75	P-421m	1.35	123 K	2025	10.1107/S2052252524011242
UREAXX76	P-421m	1.34	123 K	2025	10.1107/S2052252524011242
UREAXX77	P-421m	1.359	123 K	2025	10.1107/S2052252524011242
UREAXX78	P-421m	1.38	123 K	2025	10.1107/S2052252524011242
UREAXX79	P-421m	1.38	123 K	2025	10.1107/S2052252524011242
UREAXX80	P-421m	0.559	123 K	2025	10.1107/S2052252524011242
UREAXX81	P-421m	1.34	123 K	2025	10.1107/S2052252524011242
UREAXX82	P-421m	1.34	123 K	2025	10.1107/S2052252524011242
UREAXX83	P-421m	1.329	123 K	2025	10.1107/S2052252524011242
UREAXX84	P-421m	1.35	123 K	2025	10.1107/S2052252524011242
UREAXX85	P-421m	1.359	123 K	2025	10.1107/S2052252524011242
UREAXX86	P-421m	0.549	123 K	2025	10.1107/S2052252524011242
UREAXX87	P-421m	1.37	123 K	2025	10.1107/S2052252524011242

Make this table include whether polymorphs are solution-grown, sublimation grown, templated or otherwise. Add references.

Other notes

When Steven did the original search, From IV was called Form II.

Urea

CSP studies

CSD structures (CSD version 6.01 with Feb 2026 update)

Other notes

Dataset downloads