Crystallography Open Database

Information card for entry 7122526

Preview

Coordinates	7122526.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	N'-[(1R,2E,4R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-ylidene]-2-furohydrazide (-)
Formula	C15 H20 N2 O2
Calculated formula	C15 H20 N2 O2
Title of publication	Synthesis of d-(+)-camphor-based <i>N</i>-acylhydrazones and their antiviral activity.
Authors of publication	Kovaleva, Kseniya S.; Zubkov, Fedor I.; Bormotov, Nikolay I.; Novikov, Roman A.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.; Gatilov, Yuriy V.; Zarubaev, Vladimir V.; Yarovaya, Olga I.; Shishkina, Larisa N.; Salakhutdinov, Nariman F.
Journal of publication	MedChemComm
Year of publication	2018
Journal volume	9
Journal issue	12
Pages of publication	2072 - 2082
a	10.6401 ± 0.0009 Å
b	13.1077 ± 0.0013 Å
c	11.089 ± 0.0011 Å
α	90°
β	111.31 ± 0.004°
γ	90°
Cell volume	1440.8 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0922
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1024
Weighted residual factors for all reflections included in the refinement	0.1221
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
230143 (current)	2019-11-17	cif/ Updating files of 7122525, 7122526, 7122527 Original log message: Adding full bibliography for 7122525--7122527.cif.	7122526.cif
211676	2018-10-27	cif/ Adding structures of 7122525, 7122526, 7122527 via cif-deposit CGI script.	7122526.cif