Crystallography Open Database

Information card for entry 7210265

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Structure parameters

Formula	C21 H24 N2 O2
Calculated formula	C21 H24 N2 O2
SMILES	c1(cc(c(c(c1)C)O)C)C(c1cc(c(c(c1)C)O)C)c1c(C)[nH]cn1
Title of publication	Polymorphism and porosity in 4-[(4-hydroxy-3,5-dimethylphenyl)(5-methyl-1H-imidazol-4-yl)methyl]-2,6-dimethylphenol
Authors of publication	Nath, Bhaskar; Baruah, Jubaraj B.
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	31
Pages of publication	6249
a	8.1858 ± 0.0008 Å
b	10.6531 ± 0.0012 Å
c	20.967 ± 0.002 Å
α	90°
β	92.684 ± 0.007°
γ	90°
Cell volume	1826.4 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1232
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.0896
Weighted residual factors for all reflections included in the refinement	0.1071
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
301864 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure.	7210265.cif
180433	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/02.	7210265.cif
87581	2013-08-27	cif/ Adding structures of 7210265, 7210266, 7210267, 7210268 via cif-deposit CGI script.	7210265.cif