Crystallography Open Database

Information card for entry 2312849

Preview

Coordinates	2312849.cif
Original IUCr paper	HTML

Structure parameters

Common name	Aminocarb
Chemical name	4-(Dimethylamino)-3-methylphenyl methylcarbamate
Formula	C11 H16 N2 O2
Calculated formula	C11 H16 N2 O2
SMILES	CNC(=O)Oc1ccc(c(c1)C)N(C)C
Title of publication	Exploration of the structure and interactions of 4-(dimethylamino)-3-methylphenyl N-methylcarbamate (Aminocarb).
Authors of publication	Akerele, Oluwatoyin; Lemmerer, Andreas
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2025
Journal volume	81
Journal issue	6
a	9.2445 ± 0.0003 Å
b	12.4193 ± 0.0004 Å
c	9.991 ± 0.0004 Å
α	90°
β	98.929 ± 0.001°
γ	90°
Cell volume	1133.17 ± 0.07 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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	0.0466
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.1145
Weighted residual factors for all reflections included in the refinement	0.1176
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
299645 (current)	2025-05-14	cif/ Adding structures of 2312849 via cif-deposit CGI script.	2312849.cif