3-Ethoxy-5,6,7,8-tetrahydro-1-hydroxyisoquinoline-4-carbonitrile, C12H14N2O2
Mr=218.25, monoclinic, P2l/n, a= 1.33 g cm-3, (Mo Ka) = 0.71069 A, µ=0.86 cm-1, 20.000(2), b = 6.219(1), c=8.794(1)A, β= F(000)= 464, T=298 K. Final R = 0.056 for 136994.31 (2)º, V = 1090.7(4)A3, Z=4 Dx= observed reflections. The pyridine ring is planar, two (carbonyl and carbonitrile) substituents...
| Authors: | ; ; ; |
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| Format: | Article |
| Publication date: | 1985 |
| Country: | España |
| Institution: | Universitat Autònoma de Barcelona |
| Repository: | Dipòsit Digital de Documents de la UAB |
| Language: | English |
| OAI Identifier: | oai:ddd.uab.cat:27758 |
| Online Access: | https://ddd.uab.cat/record/27758 https://dx.doi.org/urn:doi:10.1107/S0108270185004334 |
| Access Level: | Open access |
| Keyword: | Cristal·lografia Crystallography |
| Summary: | Mr=218.25, monoclinic, P2l/n, a= 1.33 g cm-3, (Mo Ka) = 0.71069 A, µ=0.86 cm-1, 20.000(2), b = 6.219(1), c=8.794(1)A, β= F(000)= 464, T=298 K. Final R = 0.056 for 136994.31 (2)º, V = 1090.7(4)A3, Z=4 Dx= observed reflections. The pyridine ring is planar, two (carbonyl and carbonitrile) substituents deviate at the same side of the plane, while the remaining substituents deviate at the other side. The six-carbon-membered ring has a skew-boat form. Bond angles and lengths are similar to those observed in the literature. Enantiomeric molecules are hydrogen-bonded by means of the carbonyl O and the N atom of the isoquinoline moiety. |
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