Crystallography Open Database

Information card for entry 2312402

Preview

Coordinates	2312402.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(<i>S</i>)-(+)-1-(4-Bromophenyl)-<i>N</i>-[(4-methoxyphenyl)methylidene]ethylamine
Formula	C16 H16 Br N O
Calculated formula	C16 H16 Br N O
SMILES	Brc1ccc([C@@H](/N=C/c2ccc(OC)cc2)C)cc1
Title of publication	(<i>S</i>)-(+)-1-(4-Bromo-phen-yl)-<i>N</i>-[(4-methoxyphen-yl)methyl-idene]ethyl-amine and bis-{(<i>S</i>)-(+)-1-(4-bromo-phen-yl)-<i>N</i>-[(4-methoxyphen-yl)methyl-idene]ethyl-amine-κ<i>N</i>}di-chlorido-palladium(II).
Authors of publication	Anzaldo, Bertin; Moreno Morales, Gloria E.; Villamizar C, Claudia P; Mendoza, Ángel; Hernández Téllez, Guadalupe
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2024
Journal volume	80
Journal issue	Pt 2
Pages of publication	213 - 217
a	5.6599 ± 0.0011 Å
b	7.9243 ± 0.001 Å
c	34.353 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	1540.8 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1136
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.0945
Weighted residual factors for all reflections included in the refinement	0.116
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
290314 (current)	2024-03-05	cif/ Adding structures of 2312402, 2312403 via cif-deposit CGI script.	2312402.cif