Information card for entry 2311249

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 ų
• 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 Fobs: No