Crystallography Open Database

Information card for entry 7243949

Preview

Coordinates	7243949.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	N-(4-hydroxyphenyl)acetamide
Formula	C8 H9 N O2
Calculated formula	C8 H9 N O2
SMILES	c1(NC(=O)C)ccc(cc1)O
Title of publication	Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED
Authors of publication	Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	48
Pages of publication	8622 - 8630
a	7.344 ± 0.005 Å
b	9.645 ± 0.006 Å
c	12.087 ± 0.007 Å
α	90°
β	97.37 ± 0.05°
γ	90°
Cell volume	849.1 ± 0.9 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1471
Residual factor for significantly intense reflections	0.1202
Weighted residual factors for significantly intense reflections	0.3152
Weighted residual factors for all reflections included in the refinement	0.3394
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation probe	electron
Diffraction radiation wavelength	0.0251 Å
Diffraction radiation type	200keVelectrons
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
271839 (current)	2022-01-06	cif/ Updating files of 7243939, 7243940, 7243941, 7243942, 7243943, 7243944, 7243945, 7243946, 7243947, 7243948, 7243949, 7243950, 7243951 Original log message: Adding full bibliography for 7243939--7243951.cif.	7243949.cif
270763	2021-11-20	cif/ Adding structures of 7243939, 7243940, 7243941, 7243942, 7243943, 7243944, 7243945, 7243946, 7243947, 7243948, 7243949, 7243950, 7243951 via cif-deposit CGI script.	7243949.cif