| Full text | |
| Author(s): |
Caracelli, Ignez
;
Trindade, Antonio C.
;
Moran, Paulo J. S.
;
Hinoue, Luciana
;
Zukerman-Schpector, Julio
;
Tiekink, Edward R. T.
Total Authors: 6
|
| Document type: | Journal article |
| Source: | ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE; v. 66, p. 12-pg., 2010-01-01. |
| Abstract | |
The title molecule, C(11)H(10)N(2)O(6), has a Z conformation about the C = N bond of the oxime unit. There are significant twists from planarity throughout the molecule, the most significant being between the hydroxyimino and ester groups which are effectively orthogonal with an N-C-C-O(carbonyl) torsion angle of 91.4 (2)degrees. The crystal packing features oxime-benzoyl O-H center dot center dot center dot O contacts that lead to chains along [010] and C-H center dot center dot center dot O interactions also occur. (AU) | |
| FAPESP's process: | 08/02531-5 - Quimica computacional: cristalografia, modelagem molecular e docking. |
| Grantee: | Julio Zukerman Schpector |
| Support Opportunities: | Regular Research Grants |