2-{(E)-[1-(2-Hydroxyethyl)-3,3-dimethyl-3H-indol-1-ium-2-yl]vinyl}-6-hydroxymethyl-4-nitrophenolate dihydrate
| Autor: | Mark A. Rodriguez, Greg O'Bryan, William J. Andrzejewski, James R. McElhanon |
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| Jazyk: | angličtina |
| Rok vydání: | 2009 |
| Předmět: | |
| Zdroj: | Acta Crystallographica Section E, Vol 65, Iss 8, Pp o1906-o1907 (2009) |
| Druh dokumentu: | article |
| ISSN: | 16005368 1600-5368 |
| DOI: | 10.1107/S1600536809027238 |
| Popis: | The title merocyanine-type molecule, C21H22N2O5·2H2O, crystallizes in a zwitterionic form and has an E configuration at the styryl C=C bond. The styryl part of the molecule and the indolium ring are slightly twisted and form a dihedral angle of 13.4 (1)°. The 1.274 (3) Å C—O bond length in the phenolate fragment is the longest among similar molecules. Hydrogen bonds between solvent water molecules, two hydroxyl groups and the phenolate O atom dictate the packing arrangement of molecules in the crystal and join the molecules into a two-dimensional polymeric network which propagates parallel to (001). Four water molecules and four hydroxy groups form a centrosymmetric homodromic cyclic motif of O—H...O hydrogen bonds. Another cyclic centrosymmetric motif is generated by four water molecules and two phenolate O atoms. |
| Databáze: | Directory of Open Access Journals |
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