Crystallography Open Database

Information card for entry 2236429

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Structure parameters

Chemical name	2-(1,3-Benzothiazol-2-yl)-6-ethoxyphenol
Formula	C15 H13 N O2 S
Calculated formula	C15 H13 N O2 S
SMILES	c12ccccc1nc(c1c(c(ccc1)OCC)O)s2
Title of publication	An orthorhombic polymorph of 2-(1,3-benzothiazol-2-yl)-6-ethoxyphenol
Authors of publication	Kargar, Hadi; Kia, Reza; Sharafi, Zahra; Jahromi, Hossein Jalali; Tahir, Muhammad Nawaz
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	9
Pages of publication	o2628
a	4.8728 ± 0.001 Å
b	11.711 ± 0.003 Å
c	23.378 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	1334.1 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1377
Residual factor for significantly intense reflections	0.0675
Weighted residual factors for significantly intense reflections	0.1172
Weighted residual factors for all reflections included in the refinement	0.1444
Goodness-of-fit parameter for all reflections included in the refinement	0.993
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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