Crystallography Open Database

Information card for entry 1572818

Preview

Coordinates	1572818.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	4-Bromo-<i>N</i>,<i>N</i>'-diphenylbenzimidamide <i>N</i>'-oxide
Formula	C19 H15 Br N2 O
Calculated formula	C19 H15 Br N2 O
Title of publication	4-Bromo-N,N′-diphenylbenzimidamide N′-oxide
Authors of publication	Saha, Arindam; Chartrand, Daniel; Cibian, Mihaela; Maris, Thierry; Hanan, Garry S.
Journal of publication	IUCrData
Year of publication	2024
Journal volume	9
Journal issue	10
Pages of publication	x240968
a	17.7036 ± 0.0016 Å
b	5.8468 ± 0.0006 Å
c	31.418 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3252.1 ± 0.5 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.078
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.1396
Weighted residual factors for all reflections included in the refinement	0.1581
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
300370 (current)	2025-07-05	Updating bibliography information from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	1572818.cif
295380	2024-10-09	cif/ Adding structures of 1572818 via cif-deposit CGI script.	1572818.cif