Crystallography Open Database

Information card for entry 4030375

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Structure parameters

Formula	C14 H24 N2 O
Calculated formula	C14 H24 N2 O
SMILES	[C@@H]1([C@@H](CC[C@H](C1)C)C(C)C)OCn1ccnc1
Title of publication	Symmetrical Imidazolium Chloride Based on (-)-Menthol: Synthesis, Characterization, and Theoretical Model of the Reaction.
Authors of publication	Feder-Kubis, Joanna; Szefczyk, Borys; Kubicki, Maciej
Journal of publication	The Journal of organic chemistry
Year of publication	2014
Journal volume	80
Journal issue	1
Pages of publication	237
a	6.2999 ± 0.0011 Å
b	7.7215 ± 0.0012 Å
c	14.823 ± 0.002 Å
α	90°
β	95.614 ± 0.013°
γ	90°
Cell volume	717.6 ± 0.19 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0521
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1187
Weighted residual factors for all reflections included in the refinement	0.1226
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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
301828 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure.	4030375.cif
178482	2016-03-21	cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/03.	4030375.cif
130705	2015-02-04	cif/ Updating files of 4030375 Original log message: Adding full bibliography for 4030375.cif.	4030375.cif
128960	2014-12-21	cif/ Adding structures of 4030375 via cif-deposit CGI script.	4030375.cif