Synthesis and Structure of 6-Acetyl-2-Arylhydrazone Derivatives of Thiazolo[3,2-a]Pyrimidine
Abstract
:1. Introduction
2. Materials and Methods
3. Results and Discussion
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Acknowledgments
Conflicts of Interest
References
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Compound | 3a (from Ethanol) |
---|---|
Molecular formula | C21H18N4O2S |
Formula | C21H18N4O2S |
Formula Weight | 286.35 |
Crystal System | monoclinic |
Space group | P21/n |
Cell parameters | a = 9.5262(8) Å, b = 12.1416(12) Å, c = 16.0525(16) Å; α = 90°, β = 90.248(4)°, γ = 90°. |
V [Å3] | 1856.67 Å3 |
Z and Z′ | 4 and 0 |
D(calc) [g/cm3] | 1.397 |
λ (Å) | (MoKα) 0.71073 |
μ [/mm] | 0.200 |
F(000) | 816 |
Theta Min-Max [Deg] | 2.103–29.998° |
Reflections measured | 58800 |
Independent reflections | 5398 |
Observed reflections [I > 2σ(I)] | 3596 |
Goodness of fit | 1.035 |
R [I > 2σ(I)] | R1 = 0.0492, wR2 = 0.1118 |
R (all reflections) | R1 = 0.0936, wR2 = 0.1255 |
Max. and Min. Resd. Dens. [e/Å−3] | 0.339 and −0.376 e Å−3 |
Depositor number in CCDC | 2252794 |
C1 C5 C6 C7 | Ph (at C5) | CH3-CH(OH)- (at C1) | CH3- (at C7) | E (kJ/mol) |
---|---|---|---|---|
RRRR/SSSS | e | e | e | 115.05 |
RRRS/SSSR | e | e | a | 103.53 |
RRSR/SSRS | a | e | a | 112.76 |
RRSS/SSRR | a | e | e | 113.23 |
RSRR/SRSS | a | e | e | 99.50 |
RSRS/SRSR | a | e | a | 118.68 |
RSSR/SRRS | e | e | a | 111.95 |
RSSS/SRRR | e | e | e | 113.43 |
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Agarkov, A.S.; Mingazhetdinova, D.O.; Nefedova, A.A.; Ovsyannikov, A.S.; Shiryaev, A.K.; Litvinov, I.A.; Solovieva, S.E.; Antipin, I.S. Synthesis and Structure of 6-Acetyl-2-Arylhydrazone Derivatives of Thiazolo[3,2-a]Pyrimidine. Organics 2023, 4, 438-446. https://doi.org/10.3390/org4030031
Agarkov AS, Mingazhetdinova DO, Nefedova AA, Ovsyannikov AS, Shiryaev AK, Litvinov IA, Solovieva SE, Antipin IS. Synthesis and Structure of 6-Acetyl-2-Arylhydrazone Derivatives of Thiazolo[3,2-a]Pyrimidine. Organics. 2023; 4(3):438-446. https://doi.org/10.3390/org4030031
Chicago/Turabian StyleAgarkov, Artem S., Dilyara O. Mingazhetdinova, Anna A. Nefedova, Alexander S. Ovsyannikov, Andrey K. Shiryaev, Igor A. Litvinov, Svetlana E. Solovieva, and Igor S. Antipin. 2023. "Synthesis and Structure of 6-Acetyl-2-Arylhydrazone Derivatives of Thiazolo[3,2-a]Pyrimidine" Organics 4, no. 3: 438-446. https://doi.org/10.3390/org4030031