Crystallography Open Database

Information card for entry 7241681

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Structure parameters

Common name	methyl ammonium methyl carbamate
Chemical name	methyl ammonium methyl carbamate
Formula	C3 H10 N2 O2
Calculated formula	C3 H10 N2 O2
SMILES	[NH3+]C.N(C)C(=O)[O-]
Title of publication	Stable carbamate pathway towards organic–inorganic hybrid perovskites and aromatic imines
Authors of publication	Lee, Kyu Hyung; Kim, Sun Joo; Park, Hee Sun; Lim, Byung Wook; Lee, Byeongno; Park, Young Jun; Nam, Wonwoo; Hur, Nam Hwi
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	62
Pages of publication	38055 - 38062
a	9.3493 ± 0.0002 Å
b	6.9787 ± 0.0001 Å
c	9.155 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	597.33 ± 0.02 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0243
Residual factor for significantly intense reflections	0.0243
Weighted residual factors for significantly intense reflections	0.0588
Weighted residual factors for all reflections included in the refinement	0.0589
Goodness-of-fit parameter for all reflections included in the refinement	1.19
Diffraction radiation wavelength	0.71073 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301870 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure.	7241681.cif
259588	2020-12-06	cif/ Adding structures of 7241681, 7241682 via cif-deposit CGI script.	7241681.cif