| Autor: |
Y. Frangin, E. Galinier, J. E. Ombetta, N. Rodier, J. M. Cense, Viatcheslav N. Agafonov, D. Guilloteau |
| Rok vydání: |
1993 |
| Předmět: |
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| Zdroj: |
Acta Crystallographica Section C Crystal Structure Communications. 49:841-843 |
| ISSN: |
0108-2701 |
| DOI: |
10.1107/s0108270192010540 |
| Popis: |
5-(3-Iodophenyl)-2,3-dihydro-5H-imidazo[2,1-a]isoindol-5-ol. The pentagonal A and B rings show an envelope conformation and the hexagonal C and D rings are planar. The dihydroimidazoisoindole group is approximately planar and its least-squares plane makes an angle of 91.3 (2) o with that of ring D. The molecules form dimers in which they are related by a centre of symmetry and linked together by the O(19)-H(19)...N(5 i ) hydrogen bond [(i)-x, 1-y, -z; 2.798 (5) A, 177 o ]. The rotational barrier around the C(1)-C(3) bond (20. 1 kJ mol -1 ) has been calculated using the AM1 semi-empirical method. Its relatively low value suggests that the molecular geometry may be easily modified in solution |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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