Single-crystal X-ray study T = 299 K Mean (C-C) = 0.005 A R factor = 0.041 wR factor = 0.102 Data-to-parameter ratio = 9.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
2,2,2-Trimethyl-N-(4-methylphenyl)acetamide
✍ Scribed by Gowda, B. Thimme ;Kožíšek, Jozef ;Tokarčík, Miroslav ;Fuess, Hartmut
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 68 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The structure of the title compound, C 12 H 17 NO, is closely related to the ring-unsubstituted 2,2,2-trimethyl-N-phenylacetamide, and ortho-and meta-ring-substituted amides, with somewhat slightly different bond parameters. N-HÁ Á ÁO hydrogen bonding results in the formation of an infinite chain running parallel to the b axis.
📜 SIMILAR VOLUMES
In the structure of the title compound, C 11 H 12 Cl 3 NO, the N-H bond is syn to the ortho-chloro and anti to the meta-chloro substituents. There is an intramolecular hydrogen bond between the NH hydrogen and the ortho Cl atom.
C1-C2 1.490 (3) C4-Cl1 1.732 (2) C1-H1A 0.9600 C5-C6 1.372 (3) C1-H1B 0.9600 C5-H5 0.99 (3) C1-H1C 0.9600 C6-C7 1.369 (3) C2-O1 1.222 (3) C6-Cl2 1.738 (2) C2-N1 1.348 (3) C7-C8 1.377 (3) C3-C4 1.384 (3) C7-H7 0.93 (3) C3-C8 1.391 (3) C8-H8 0.90 (3) C3-N1 1.406 (3) N1-H1 0.83 (3) C4-C5 1.384 (3)