Crystallography Open Database

Information card for entry 2243042

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Structure parameters

Chemical name	1-Benzoyl-4-(4-methoxyphenyl)piperazine
Formula	C18 H20 N2 O2
Calculated formula	C18 H20 N2 O2
SMILES	N1(CCN(CC1)c1ccc(cc1)OC)C(=O)c1ccccc1
Title of publication	Six 1-aroyl-4-(4-methoxyphenyl)piperazines: similar molecular structures but different patterns of supramolecular assembly
Authors of publication	Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Sagar, Belakavadi K.; Foro, Sabine; Glidewell, Christopher
Journal of publication	Acta Crystallographica Section E
Year of publication	2019
Journal volume	75
Journal issue	8
Pages of publication	1253 - 1260
a	29.403 ± 0.005 Å
b	7.9811 ± 0.0014 Å
c	6.7898 ± 0.0013 Å
α	90°
β	97.352 ± 0.012°
γ	90°
Cell volume	1580.3 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0482
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0823
Weighted residual factors for all reflections included in the refinement	0.0891
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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