Crystal structures of 6-nitroquinazolin-4(3 H )-one, 6-aminoquinazolin-4(3 H )-one and 4-aminoquinazoline hemihydrochloride dihydrate
The title compounds, 6-nitroquinazolin-4(3 H )-one (C 8 H 5 N 3 O 3 ; I ), 6-aminoquinazolin-4(3 H )-one (C 8 H 7 N 3 O; II ) and 4-aminoquinazolin-1-ium chloride–4-aminoquinazoline–water (1/1/2), (C 8 H 8 N 3 + ·Cl − ·C 8 H 7 N 3 ·2H 2 O; III ) were synthesized and their structures were determined...
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| Published in | Acta crystallographica. Section E, Crystallographic communications Vol. 77; no. 10; pp. 989 - 993 |
|---|---|
| Main Authors | , , , , |
| Format | Journal Article |
| Language | English |
| Published |
01.10.2021
|
| Online Access | Get full text |
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| Summary: | The title compounds, 6-nitroquinazolin-4(3
H
)-one (C
8
H
5
N
3
O
3
;
I
), 6-aminoquinazolin-4(3
H
)-one (C
8
H
7
N
3
O;
II
) and 4-aminoquinazolin-1-ium chloride–4-aminoquinazoline–water (1/1/2), (C
8
H
8
N
3
+
·Cl
−
·C
8
H
7
N
3
·2H
2
O;
III
) were synthesized and their structures were determined by single-crystal X-ray analysis. In the crystals of
I
and
II
, the quinazoline molecules form hydrogen-bonded dimers
via
N—H...O interactions. The dimers are connected by weak intermolecular C—H...N and C—H...O hydrogen bonds, forming a layered structure in the case of
I
. In the crystal of
II
, N—H...N and C—H...O interactions link the dimers into a three-dimensional network structure. The asymmetric unit of
III
consists of two quinazoline molecules, one of which is protonated, a chloride ion, and two water molecules. The chloride anion and the water molecules form hydrogen-bonded chains consisting of fused five-membered rings. The protonated and unprotonated quinazolin molecules are linked to the chloride ions and water molecules of the chain by their amino groups. |
|---|---|
| ISSN: | 2056-9890 2056-9890 |
| DOI: | 10.1107/S2056989021008823 |