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(4-Nitrophenyl)(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)methanol monohydrate
In the crystal structure of the title compound, C(18)H(17)N(3)O(3)·H(2)O, the molecules are linked by O—H⋯O and O—H⋯N hydrogen bonds, resulting in a chain along the a axis. The crystal structure is stabilized by weak intermolecular C—H⋯π (ring) hydrogen bonds and aromatic π⋯π stacking interaction...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3151778/ https://www.ncbi.nlm.nih.gov/pubmed/21837078 http://dx.doi.org/10.1107/S1600536811021775 |
Sumario: | In the crystal structure of the title compound, C(18)H(17)N(3)O(3)·H(2)O, the molecules are linked by O—H⋯O and O—H⋯N hydrogen bonds, resulting in a chain along the a axis. The crystal structure is stabilized by weak intermolecular C—H⋯π (ring) hydrogen bonds and aromatic π⋯π stacking interactions [centroid–centroid distance = 3.902 (1) Å] between the pyrimidino rings of the quinazoline system. The tricyclic quinazoline fragment is almost planar (rms deviation = 0.0139 Å) with the two methylene C atoms of the pyrrolo ring deviating by 0.148 (2) and −0.081 (3) Å from the plane through the other atoms. The 4-nitrophenyl ring makes a dihedral angle of 12.55 (7)° with the tricyclic ring system. |
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