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(4-Nitrophenyl)(1,2,3,9-tetrahydro-pyrrolo[2,1-b]quinazolin-3-yl)methanol monohydrate.

ABSTRACT: In the crystal structure of the title compound, C(18)H(17)N(3)O(3)·H(2)O, the mol-ecules 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 inter-molecular C-H?? (ring) hydrogen bonds and aromatic ??? stacking inter-actions [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.

SUBMITTER: Elmuradov BZh

PROVIDER: S-EPMC3151778 | biostudies-literature | 2011 Jul

REPOSITORIES: biostudies-literature

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(4-Nitrophenyl)(1,2,3,9-tetrahydro-pyrrolo[2,1-b]quinazolin-3-yl)methanol monohydrate.

Elmuradov Burkhon Zh BZh Makhmadiyarova Charoskhon E CE Turgunov Kambarali K KK Tashkhodjaev Bakhodir B Shakhidoyatov Khusnutdin M KM

Acta crystallographica. Section E, Structure reports online 20110618 Pt 7

In the crystal structure of the title compound, C(18)H(17)N(3)O(3)·H(2)O, the mol-ecules 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 inter-molecular C-H⋯π (ring) hydrogen bonds and aromatic π⋯π stacking inter-actions [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 methyle ...[more]

PMID: 21837078

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