Crystallography Open Database

Information card for entry 2243195

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Structure parameters

Chemical name	1,4-Bis(2,4-dimethylphenyl)piperazine
Formula	C20 H26 N2
Calculated formula	C20 H26 N2
SMILES	N1(CCN(CC1)c1c(cc(cc1)C)C)c1c(cc(cc1)C)C
Title of publication	A structural study of 2,4-dimethylaniline derivatives
Authors of publication	Penner, Samuel C.; Kalvandi, Maryam; Ritch, Jamie S.
Journal of publication	Acta Crystallographica Section E
Year of publication	2018
Journal volume	74
Journal issue	9
Pages of publication	1276 - 1280
a	7.6563 ± 0.0002 Å
b	13.2685 ± 0.0004 Å
c	8.3688 ± 0.0002 Å
α	90°
β	96.968 ± 0.002°
γ	90°
Cell volume	843.89 ± 0.04 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.062
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0894
Weighted residual factors for all reflections included in the refinement	0.0954
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
227661 (current)	2019-11-12	cif/ hkl/ Adding structures of 2243194, 2243195 via cif-deposit CGI script.	2243195.cif 2243195.hkl