Crystallography Open Database

Information card for entry 7243983

Preview

Coordinates	7243983.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	ETOH1
Formula	C5 H4 F N3 O2
Calculated formula	C5 H4 F N3 O2
SMILES	Fc1nc(C(=O)N)c(O)nc1
Title of publication	Scalable synthesis of favipiravir via conventional and continuous flow chemistry
Authors of publication	Tiyasakulchai, Thanat; Charoensetakul, Netnapa; Khamkhenshorngphanuch, Thitiphong; Thongpanchang, Chawanee; Srikun, Onsiri; Yuthavong, Yongyuth; Srimongkolpithak, Nitipol
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	61
Pages of publication	38691 - 38693
a	9.144 ± 0.002 Å
b	14.87 ± 0.003 Å
c	4.5573 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	619.7 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0363
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.1059
Weighted residual factors for all reflections included in the refinement	0.106
Goodness-of-fit parameter for all reflections included in the refinement	1.496
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
270973 (current)	2021-12-02	cif/ Adding structures of 7243983 via cif-deposit CGI script.	7243983.cif