(3S)-4-Phenyl-3-(phenylaminooxy)butan-2-one
✍ Scribed by Yang, Li ;Fang, Hua ;Zheng, Hu ;Weng, Ling-Ling
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 704 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The title compound, C 16 H 17 NO 2 , is an intermediate in our work on chiral acyloins. The crystal structure shows that molecules are linked by N-HÁ Á ÁÁO hydrogen bonds.
Related literature
For related literature, see: Co ´rdova et al. (2004); Davis & Chen (1992); Hayashi et al. (2004); Momiyama et al. (2004). Experimental Crystal data C 16 H 17 NO 2 M r = 255.31 Orthorhombic, P2 1 2 1 2 1 a = 5.5950 (17) A b = 15.847 (5) A c = 16.156 (5) A ˚V = 1432.4 (7) A ˚3 Z = 4 Mo K radiation = 0.08 mm À1 T = 293 (2) K 0.48 Â 0.18 Â 0.09 mm Data collection Bruker APEX area-detector diffractometer Absorption correction: multi-scan (SADABS; Bruker, 2001) T min = 0.751, T max = 1.000 7191 measured reflections 1571 independent reflections 781 reflections with I > 2(I) R int = 0.148 Refinement R[F 2 > 2(F 2 )] = 0.055 wR(F 2 ) = 0.145 S = 0.85
📜 SIMILAR VOLUMES
Excluding H atoms, the title molecule, C 12 H 15 O 3 N 3 , is approximately planar. Glide-related molecules are linked by intermolecular OÐHÁ Á ÁO hydrogen bonds into a chain structure running along [101]. The crystal packing is further stabilized by %±% interactions.
Single-crystal X-ray study T = 293 K Mean (C-C) = 0.005 A R factor = 0.045 wR factor = 0.125 Data-to-parameter ratio = 7.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
In the title compound, C 22 H 20 N 6 S 2 , the molecule lies on a centre of inversion and the triazine ring makes a dihedral angle of 8.47 (2) with the benzene ring.