Crystallography Open Database

Information card for entry 7156921

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Structure parameters

Chemical name	Ethyl 2-amino-5-neopentyl-1H-imidazole-4-carboxylate
Formula	C11 H19 N3 O2
Calculated formula	C11 H19 N3 O2
Title of publication	Thermal and photochemical annulation of vinyl azides to 2-aminoimidazoles.
Authors of publication	Man, Lucas; Copley, Royston C. B.; Handlon, Anthony L.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	27
Pages of publication	6566 - 6569
a	11.6022 ± 0.0007 Å
b	22.9041 ± 0.0013 Å
c	9.5733 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2544 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0697
Residual factor for significantly intense reflections	0.069
Weighted residual factors for significantly intense reflections	0.1892
Weighted residual factors for all reflections included in the refinement	0.1896
Goodness-of-fit parameter for all reflections included in the refinement	1.151
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
301861 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure.	7156921.cif
225069	2019-11-08	cif/ Updating files of 7156920, 7156921 Original log message: Adding full bibliography for 7156920--7156921.cif.	7156921.cif
216045	2019-06-18	cif/ Adding structures of 7156920, 7156921 via cif-deposit CGI script.	7156921.cif