Crystallography Open Database

Information card for entry 2019256

2019255 << 2019256 >> 2019257

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Structure parameters

Chemical name	6-Aminouracil 1-methylpyrrolidin-2-one monosolvate
Formula	C9 H14 N4 O3
Calculated formula	C9 H14 N4 O3
Title of publication	Three new pseudopolymorphs of 6-aminouracil
Authors of publication	Gerhardt, Valeska; Bolte, Michael
Journal of publication	Acta Crystallographica Section C
Year of publication	2013
Journal volume	69
Journal issue	11
Pages of publication	1402 - 1407
a	7.5767 ± 0.0014 Å
b	21.889 ± 0.003 Å
c	7.1356 ± 0.0011 Å
α	90°
β	117.312 ± 0.012°
γ	90°
Cell volume	1051.5 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0822
Residual factor for significantly intense reflections	0.0614
Weighted residual factors for significantly intense reflections	0.1629
Weighted residual factors for all reflections included in the refinement	0.1744
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301798 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/01 Each referenced PubChem compound corresponds to the full crystal structure.	2019256.cif
176760	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2019256.cif
91225	2013-12-09	cif/ Adding structures of 2019254, 2019255, 2019256 via cif-deposit CGI script.	2019256.cif