Trimorphism of a model carcinogen 4-nitroquinoline-N-oxide

Yakov P. Nizhnik; Jianjiang Lu; Sergiy V. Rosokha; Jay K. Kochi

doi:10.1039/B905845A

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CrystEngComm

Issue 11, 2009

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Trimorphism of a model carcinogen 4-nitroquinoline-N-oxide

Yakov P. Nizhnik , Jianjiang Lu , Sergiy V. Rosokha and Jay K. Kochi

CrystEngComm, 2009, 11, 2400-2405

DOI: 10.1039/B905845A
Received 24 Mar 2009, Accepted 07 Jul 2009
First published on the web 24 Jul 2009

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Three polymorphs of a model carcinogen 4-nitroquinoline-N-oxide were crystallized from its solutions in various organic solvents using either (i) slow cooling or evaporation (form I), (ii) moderate rate of cooling (form II) or (iii) flash cooling (form III). These polymorphs are characterized by distinct crystal morphologies, powder diffractions and IR spectra. Single-crystal X-ray analysis of forms I and II revealed essentially the same geometries of 4-nitroquinoline-N-oxide molecules (with the exception of the nitrogroup characteristics), and distinct patterns of multiple hydrogen bonds, electrostatic interactions and π-stacking in their crystal structures.

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Crystal structure data
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Synthesis of 4-nitroquinoline-N-oxide, IR spectral data,layers of NQO molecules in forms I and II, unit cell of formIII
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Crystal structure data
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Trimorphism of a model carcinogen 4-nitroquinoline-N-oxide

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