Synthesis and crystal structure of 3-(4,5-dihydroisoxazol-3-yl)-2-methyl-4-(methylsulfonyl)benzoic acid, C12H13NO5S

Rong Zeng; Ying Hu; Xiao-Yan Zeng; Da-Yong Peng; Ji Zhang

doi:10.1515/ncrs-2024-0133

Zeitschrift für Kristallographie - New Crystal Structures (Aug 2024)

Synthesis and crystal structure of 3-(4,5-dihydroisoxazol-3-yl)-2-methyl-4-(methylsulfonyl)benzoic acid, C12H13NO5S

Rong Zeng,
Ying Hu,
Xiao-Yan Zeng,
Da-Yong Peng,
Ji Zhang

Affiliations

Rong Zeng: College of Forestry, Jiangxi Agricultural University, East China Woody Fragrance and Flavor Engineering Research Center of National Forestry and Grassland Administration, The Institute of Plant Natural Products and Forest Products Chemical Engineering, Nanchang330045, People’s Republic of China
Ying Hu: College of Forestry, Jiangxi Agricultural University, East China Woody Fragrance and Flavor Engineering Research Center of National Forestry and Grassland Administration, The Institute of Plant Natural Products and Forest Products Chemical Engineering, Nanchang330045, People’s Republic of China
Xiao-Yan Zeng: College of Forestry, Jiangxi Agricultural University, East China Woody Fragrance and Flavor Engineering Research Center of National Forestry and Grassland Administration, The Institute of Plant Natural Products and Forest Products Chemical Engineering, Nanchang330045, People’s Republic of China
Da-Yong Peng: College of Chemistry and Material Science/Key Laboratory of Chemical Utilization of Plant Resources of Nanchang, Jiangxi Agricultural University, Nanchang330045, People’s Republic of China
Ji Zhang: College of Forestry, Jiangxi Agricultural University, East China Woody Fragrance and Flavor Engineering Research Center of National Forestry and Grassland Administration, The Institute of Plant Natural Products and Forest Products Chemical Engineering, Nanchang330045, People’s Republic of China

DOI: https://doi.org/10.1515/ncrs-2024-0133
Journal volume & issue: Vol. 239, no. 4
pp. 677 – 679

Abstract

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C12H13NO5S, triclinic, P1̄ (no. 2), a = 9.7095(6) Å, b = 11.9632(6) Å, c = 12.4335(5) Å, α = 86.456(4)°, β = 73.532(4)°, γ = 69.272(5)°, V = 1294.15(12) Å3, Z = 4, Rgt (F) = 0.0445, wRref (F 2) = 0.1113, T = 296(2) K.

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Published in Zeitschrift für Kristallographie - New Crystal Structures

ISSN: 1433-7266 (Print); 2197-4578 (Online)
Publisher: De Gruyter
Country of publisher: Germany
LCC subjects: Science: Physics; Science: Chemistry: Crystallography
Website: https://www.degruyter.com/journal/key/ncrs/html

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