Benzo[d][1,3]oxathiole-2-thione
Abstract
:1. Introduction
2. Results
3. Experimental
3.1. General Experimental Details
3.2. Synthesis of Benzo[d][1,3]oxathiole-2-thione 1
3.3. X-ray Structure Determination of 1
Supplementary Materials
Author Contributions
Funding
Data Availability Statement
Conflicts of Interest
References
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Position | δC | δH |
---|---|---|
2 | 201.7 | – |
3a | 126.6 | – |
4 | 121.2 | 7.412 |
5 | 126.0 | 7.337 |
6 | 128.0 | 7.403 |
7 | 112.2 | 7.400 |
7a | 155.1 | – |
Compound | 3JH4–H5 | 4JH4–H6 | 5JH4–H7 | 3JH5–H6 | 4JH5–H7 | 3JH6–H7 |
---|---|---|---|---|---|---|
1 | 8.0 | 1.8 | 0.3 | 7.4 | 1.7 | 8.5 |
Bond Length | Angle | ||
---|---|---|---|
S(3)–C(2) | 1.7399(16) | C(3a)–S(3)–C(2) | 91.42(7) |
C(2)–S(1) | 1.6293(16) | S(3)–C(2)–O(1) | 111.77(11) |
C(2)–O(1) | 1.3625(18) | S(3)–C(2)–S(1) | 125.58(10) |
O(1)–C(7a) | 1.3891(17) | S(1)–C(2)–O(1) | 122.65(12) |
C(7a)–C(3a) | 1.393(2) | C(2)–O(1)–C(7a) | 112.89(11) |
C(3a)–S(3) | 1.7422(15) | O(1)–C(7a)–C(3a) | 114.29(13) |
C(7a)–C(3a)–S(3) | 109.61(11) |
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Aitken, R.A.; Cordes, D.B.; Cottineau, L.; McKay, A.P. Benzo[d][1,3]oxathiole-2-thione. Molbank 2024, 2024, M1891. https://doi.org/10.3390/M1891
Aitken RA, Cordes DB, Cottineau L, McKay AP. Benzo[d][1,3]oxathiole-2-thione. Molbank. 2024; 2024(4):M1891. https://doi.org/10.3390/M1891
Chicago/Turabian StyleAitken, R. Alan, David B. Cordes, Lauryne Cottineau, and Aidan P. McKay. 2024. "Benzo[d][1,3]oxathiole-2-thione" Molbank 2024, no. 4: M1891. https://doi.org/10.3390/M1891