Crystallography Open Database

Information card for entry 2007182

2007181 << 2007182 >> 2007183

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Coordinates	2007182.cif
Original IUCr paper	HTML

Structure parameters

Formula	C14 H12 Cl N O2 S
Calculated formula	C14 H12 Cl N O2 S
SMILES	O=C(Nc1cc(Cl)ccc1O)CSc1ccccc1
Title of publication	<i>N</i>-(2-Hydroxy-5-chlorophenyl)thiophenylacetamide
Authors of publication	Tarimci, Çelik; Ercan, Filiz; Koçoḡlu, Meltem; Ören , İlkay
Journal of publication	Acta Crystallographica Section C
Year of publication	1998
Journal volume	54
Journal issue	4
Pages of publication	488 - 489
a	7.471 ± 0.001 Å
b	7.735 ± 0.001 Å
c	12.33 ± 0.001 Å
α	85.043 ± 0.007°
β	73.879 ± 0.008°
γ	82.665 ± 0.007°
Cell volume	677.94 ± 0.14 Å³
Cell temperature	295 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.043
Goodness-of-fit parameter for significantly intense reflections	1.11
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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