Crystallography Open Database

Information card for entry 2311237

Preview

Coordinates	2311237.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(<i>Z</i>)-1-[(2<i>E</i>)-3,4-Diphenyl-2,3-dihydro-1,3-thiazol-2-ylidene]-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinium bromide
Formula	C23 H20 Br N3 O S
Calculated formula	C23 H20 Br N3 O S
SMILES	s1cc([n+](c1N/N=C(\C)c1ccc(O)cc1)c1ccccc1)c1ccccc1.[Br-]
Title of publication	(Z)-1-[(2E)-3,4-Diphenyl-2,3-di-hydro-1,3-thia-zol-2-yl-idene]-2-[1-(4-hy-droxy-phen-yl)ethyl-idene]hydrazinium bromide including an unknown solvate.
Authors of publication	Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Hassan, Alaa A.; Albayati, Mustafa R.
Journal of publication	Acta crystallographica. Section E, Structure reports online
Year of publication	2014
Journal volume	70
Journal issue	Pt 6
Pages of publication	o647 - 8
a	7.5987 ± 0.0012 Å
b	12.3017 ± 0.0019 Å
c	13.786 ± 0.002 Å
α	68.076 ± 0.0017°
β	88.154 ± 0.0018°
γ	72.654 ± 0.0018°
Cell volume	1136.5 ± 0.3 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0949
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.1372
Weighted residual factors for all reflections included in the refinement	0.1565
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
245710 (current)	2019-12-25	cif/ Adding structures of 2311237 via cif-deposit CGI script.	2311237.cif