Crystallography Open Database

Information card for entry 2311249

Preview

Coordinates	2311249.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	1-[3-(Morpholin-4-yl)propyl]-3-[(naphthalen-2-yl)oxy]-4-(3-nitrophenyl)azetidin-2-one
Formula	C26 H27 N3 O5
Calculated formula	C26 H27 N3 O5
SMILES	O=C1N([C@H]([C@H]1Oc1ccc2ccccc2c1)c1cc(N(=O)=O)ccc1)CCCN1CCOCC1.O=C1N([C@@H]([C@@H]1Oc1ccc2ccccc2c1)c1cc(N(=O)=O)ccc1)CCCN1CCOCC1
Title of publication	1-[3-(Morpholin-4-yl)prop-yl]-3-[(naph-tha-len-2-yl)oxy]-4-(3-nitro-phen-yl)azeti-din-2-one.
Authors of publication	Atioğlu, Zeliha; Akkurt, Mehmet; Jarrahpour, Aliasghar; Heiran, Roghayeh; Ozdemir, Namık
Journal of publication	Acta crystallographica. Section E, Structure reports online
Year of publication	2014
Journal volume	70
Journal issue	Pt 8
Pages of publication	o833 - 4
a	9.7068 ± 0.0008 Å
b	10.3836 ± 0.0009 Å
c	14.2041 ± 0.0011 Å
α	73.739 ± 0.006°
β	75.922 ± 0.006°
γ	63.107 ± 0.006°
Cell volume	1214.33 ± 0.19 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1444
Residual factor for significantly intense reflections	0.0664
Weighted residual factors for significantly intense reflections	0.1424
Weighted residual factors for all reflections included in the refinement	0.1758
Goodness-of-fit parameter for all reflections included in the refinement	0.946
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
245722 (current)	2019-12-25	cif/ Adding structures of 2311249 via cif-deposit CGI script.	2311249.cif