Crystallography Open Database

Information card for entry 2300231

Preview

Coordinates	2300231.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	acetaminophen
Formula	C8 H9 N O2
Calculated formula	C8 H9 N O2
SMILES	CC(=O)Nc1ccc(cc1)O
Title of publication	Implementation and use of robust refinement in powder diffraction in the presence of impurities
Authors of publication	Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.
Journal of publication	Journal of Applied Crystallography
Year of publication	2009
Journal volume	42
Journal issue	3
Pages of publication	385 - 391
a	12.8865 ± 0.0002 Å
b	9.3822 ± 0.00017 Å
c	7.10147 ± 0.00014 Å
α	90°
β	115.702 ± 0.0011°
γ	90°
Cell volume	773.65 ± 0.03 Å³
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Diffraction radiation wavelength	0.698291 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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