Crystallography Open Database

Information card for entry 2311121

Preview

Coordinates	2311121.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	1-{(<i>Z</i>)-[(2,3-Dihydroxypropyl)amino]methylidene}naphthalen- 2(1<i>H</i>)-one
Formula	C14 H15 N O3
Calculated formula	C14 H15 N O3
Title of publication	1-{(Z)-[(2,3-Dihy-droxy-prop-yl)amino]-methyl-idene}naphthalen-2(1H)-one.
Authors of publication	Akkurt, Mehmet; Horton, Peter N.; Mohamed, Shaaban K.; Abdelhamid, Antar A.; Remaily, Mahmoud A A El
Journal of publication	Acta crystallographica. Section E, Structure reports online
Year of publication	2013
Journal volume	69
Journal issue	Pt 1
Pages of publication	o136 - 7
a	23.452 ± 0.016 Å
b	5.809 ± 0.004 Å
c	8.739 ± 0.006 Å
α	90°
β	96.445 ± 0.007°
γ	90°
Cell volume	1183 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0637
Residual factor for significantly intense reflections	0.0579
Weighted residual factors for significantly intense reflections	0.1521
Weighted residual factors for all reflections included in the refinement	0.1563
Goodness-of-fit parameter for all reflections included in the refinement	1.113
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
245593 (current)	2019-12-25	cif/ Adding structures of 2311121 via cif-deposit CGI script.	2311121.cif