Crystallography Open Database

Information card for entry 2000314

2000313 << 2000314 >> 2000315

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Coordinates	2000314.cif
Original IUCr paper	HTML

Structure parameters

Formula	C11 H13 N O S
Calculated formula	C11 H13 N O S
SMILES	S1c2c(NC1(C)CC(=O)C)cccc2
Title of publication	Structure of 1-(2-methyl-2,3-dihydrobenzothiazol-2-yl)-2-propanone
Authors of publication	Yeap, G.-Y.; Fun, H.-K.; Teo, S.-B.; Teoh, S.-G.
Journal of publication	Acta Crystallographica Section C
Year of publication	1991
Journal volume	47
Journal issue	6
Pages of publication	1347 - 1348
a	8.433 ± 0.002 Å
b	12.932 ± 0.001 Å
c	10.503 ± 0.003 Å
α	90°
β	111.77 ± 0.01°
γ	90°
Cell volume	1063.7 ± 0.4 Å³
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	mo
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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