Crystal structures of 6-nitro-quinazolin-4(3 H )-one, 6-amino-quinazolin-4(3 H )-one and 4-amino-quinazoline hemi-hydro-chloride dihydrate
The title compounds, 6-nitro-quinazolin-4(3 )-one (C H N O ; ), 6-amino-quinazolin-4(3 )-one (C H N O; ) and 4-amino-quinazolin-1-ium chloride-4-amino-quinazoline-water (1/1/2), (C H N ·Cl ·C H N ·2H O; ) were synthesized and their structures were determined by single-crystal X-ray analysis. In the...
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Veröffentlicht in: | Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2021-10, Vol.77 (Pt 10), p.989-993 |
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Hauptverfasser: | , , , , |
Format: | Artikel |
Sprache: | eng |
Schlagworte: | |
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Zusammenfassung: | The title compounds, 6-nitro-quinazolin-4(3
)-one (C
H
N
O
;
), 6-amino-quinazolin-4(3
)-one (C
H
N
O;
) and 4-amino-quinazolin-1-ium chloride-4-amino-quinazoline-water (1/1/2), (C
H
N
·Cl
·C
H
N
·2H
O;
) were synthesized and their structures were determined by single-crystal X-ray analysis. In the crystals of
and
, the quinazoline mol-ecules form hydrogen-bonded dimers
N-H⋯O inter-actions. The dimers are connected by weak inter-molecular C-H⋯N and C-H⋯O hydrogen bonds, forming a layered structure in the case of
. In the crystal of
, N-H⋯N and C-H⋯O inter-actions link the dimers into a three-dimensional network structure. The asymmetric unit of
consists of two quinazoline mol-ecules, one of which is protonated, a chloride ion, and two water mol-ecules. The chloride anion and the water mol-ecules form hydrogen-bonded chains consisting of fused five-membered rings. The protonated and unprotonated quinazolin mol-ecules are linked to the chloride ions and water mol-ecules of the chain by their amino groups. |
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ISSN: | 2056-9890 2056-9890 |
DOI: | 10.1107/S2056989021008823 |