Sample Originator: J. C. Palacios, Mark E. Light, J. L. Jimenez, Michael B. Hursthouse, R. Gordillo, F. R. Clemente, P. Cintas, R. Babiano and M. Avalos.
C26H33ClN4O12
InChI=1/C26H33ClN4O12/c1-7-38-25(36)30-29-21(13-28-31(26(37)39-8-2)20-11-9-19(27)10-12-20)23(42-17(5)34)24(43-18(6)35)22(41-16(4)33)14-40-15(3)32/h9-13,22-24H,7-8,14H2,1-6H3,(H,30,36)/b28-13+,29-21-/t22-,23-,24-/m1/s1
| Identification Number: | 10.5258/ecrystals/118 |
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| Date Created: | 30 May 2001 |
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| Deposited On: | 21 Jan 2008 15:29 |
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| Deposited By: | A.N. Admin |
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Depositor Comments
The present contribution discloses a simple and unexpected acid-catalyzed cleavage of tetrahydrotetrazines leading to 1,2-bis(hydrazones). Incorporation of a chiral fragment derived from carbohydrates enables the rapid preparation of glycosazones, a family of compounds employed by Emil Fischer to elucidate the configuration of sugars. In addition, a mechanistic proposal accounts for experimental observations.
Data collection parameters
| Chemical formula | C26 H33 Cl N4 O12 |
| Crystal morphology | |
| Crystal system | Orthorhombic |
| Space group symbol | P2(1)2(1)2(1) |
| Cell length a | 8.4889(2) |
| Cell length b | 11.5350(2) |
| Cell length c | 31.9275(6) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.1357 |
| R Factor (Obs) | 0.0498 |
| R Factor (All) | 0.0784 |
| Weighted R Factor (Obs) | 0.1105 |
| Weighted R Factor (All) | 0.1224 |
Citation: Palacios, J. C. and Light, Mark E. and Jimenez, J. L. and Hursthouse, Michael B. and Gordillo, R. and Clemente, F. R. and Cintas, P. and Babiano, R. and Avalos, M. (2001) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/118)
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