All interatomic distances in the title compound, C~13~H~15~N~3~O~2~S, are normal. The 1,2,4-triazole ring is planar and is inclined at 46.50 (6)° to the phenyl ring. The ethoxycarbonylmethyl group is also close to being planar and is inclined at 87.54 (9)° to the 1,2,4-triazole ring. The crystal was
Ethyl 4-[1-(4-bromophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-4-yliminomethyl]phenoxyacetate
✍ Scribed by Thamotharan, S. ;Parthasarathi, V. ;Sunagar, Vinay ;Badami, Bharati ;Schenk, Kurt J.
- Publisher
- International Union of Crystallography
- Year
- 2003
- Tongue
- English
- Weight
- 301 KB
- Volume
- 59
- Category
- Article
- ISSN
- 1600-5368
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📜 SIMILAR VOLUMES
In the title compound, C 14 H 13 NO 5 , the C atom between the benzene and oxazolone rings displays a distorted trigonal bonding geometry. The oxazolone and aromatic rings are approximately coplanar.
Single-crystal X-ray study T = 294 K Mean (C-C) = 0.003 A R factor = 0.043 wR factor = 0.113 Data-to-parameter ratio = 15.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
In the crystal structure of the title compound, C~16~H~15~N~3~OS, intermolecular N—H...S hydrogen bonds link the molecules together as characteristic dimers, which are further stabilized by weak intermolecular benzene-ring π–π interactions along the __a__-axis direction.