Crystallography Open Database

Information card for entry 2226196

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Structure parameters

Chemical name	1-[Morpholino(phenyl)methyl]-2-naphthol
Formula	C21 H21 N O2
Calculated formula	C21 H21 N O2
SMILES	Oc1ccc2c(c1C(c1ccccc1)N1CCOCC1)cccc2
Title of publication	1-[Morpholino(phenyl)methyl]-2-naphthol
Authors of publication	Zhao, Min Min; Shi, Ping Ping
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	6
Pages of publication	o1406
a	10.698 ± 0.002 Å
b	19.052 ± 0.004 Å
c	16.81 ± 0.003 Å
α	90°
β	101.13 ± 0.03°
γ	90°
Cell volume	3361.7 ± 1.2 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	0.0661
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1089
Weighted residual factors for all reflections included in the refinement	0.1182
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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