Crystallography Open Database

Information card for entry 2300237

Preview

Coordinates	2300237.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	12.8858 ± 0.0006 Å
b	9.3812 ± 0.0004 Å
c	7.1013 ± 0.0004 Å
α	90°
β	115.703 ± 0.003°
γ	90°
Cell volume	773.5 ± 0.07 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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