4-(N,N-Dimethylaminomethylene)-2-phenyl-2-oxazolin-5-one
✍ Scribed by Vasuki, G. ;Thamotharan, S. ;Ramamurthi, K. ;Ambika, S. ;Singh, R. M.
- Publisher
- International Union of Crystallography
- Year
- 2002
- Tongue
- English
- Weight
- 180 KB
- Volume
- 58
- Category
- Article
- ISSN
- 1600-5368
No coin nor oath required. For personal study only.
✦ Synopsis
The title compound, C 12 H 12 N 2 O 2 , crystallizes in the triclinic space group P1 with two crystallographically independent molecules in the asymmetric unit. These two molecules differ slightly in the relative orientation of the phenyl and oxazoline rings. The molecular packing in the crystal is stabilized by CÐ HÁ Á ÁO hydrogen bonds and van der Waals interactions.
📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 150 K Mean '(C±C) = 0.004 A Ê R factor = 0.043 wR factor = 0.119 Data-to-parameter ratio = 11.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.005 A Ê R factor = 0.047 wR factor = 0.120 Data-to-parameter ratio = 14.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The NH unit on the exocyclic C C double bond in the title compound, C 24 H 21 N 3 O, lies on the same side of the double bond as the carbonyl unit of the pyrazolone ring, and the two interact through an NÐHÁ Á ÁO hydrogen bond [2.695 (2) A Ê ].