Crystal structure of 3-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydrocyclopenta[b]indole-2-carboxylic acid
| Autor: | Fernando Coelho, Deborah de Alencar Simoni, Marilia S. Santos, Daniara C. Fernandes, Manuel T. Rodrigues |
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| Jazyk: | angličtina |
| Rok vydání: | 2015 |
| Předmět: |
Indole test
Hydrogen bond Substituent crystal strycture General Chemistry Crystal structure Dihedral angle indole skeleton Condensed Matter Physics Ring (chemistry) hydrogen bonding Data Reports Adduct lcsh:Chemistry chemistry.chemical_compound Crystallography chemistry lcsh:QD1-999 General Materials Science Benzene Morita–Baylis–Hillman adduct |
| Zdroj: | Acta Crystallographica Section E: Crystallographic Communications Acta Crystallographica Section E: Crystallographic Communications, Vol 71, Iss 6, Pp o395-o396 (2015) |
| ISSN: | 2056-9890 |
| Popis: | In the title compound, C21H21NO5, obtained from a Morita–Baylis–Hillman adduct, the hydrogenated five-membered ring adopts a shallow envelope conformation, with the C atom bearing the carboxylic acid substituent deviating by 0.237 (1) Å from the mean plane of the other four atoms (r.m.s. deviation = 0.007 Å). The dihedral angle between the fused ring system (all atoms; r.m.s. deviation = 0.057 Å) and the pendant trimethoxy benzene ring is 66.65 (3)°. The C atoms of themeta-methoxy groups lie close to the plane of the benzene ring [deviations = 0.052 (1) and −0.083 (1) Å], whereas the C atom of thepara-methoxy group is significantly displaced [deviation = −1.289 (1) Å]. In the crystal, carboxylic acid inversion dimers generateR22(8) loops. The dimers are connected by N—H...O hydrogen bonds, forming [011] chains. A C—H...O interaction is also observed. |
| Databáze: | OpenAIRE |
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