6‐(2‐Bromo­benzyl­amino)purine monohydrate

The structure of the title compound, C12H12N5BrO·H2O, consists of discrete mol­ecules connected by N—H⋯N hydrogen bonds to form centrosymmetric dimers, with an N⋯N distance of 2.839 (4) Å. The solvent water mol­ecules are linked by inter­molecular O—H⋯O hydrogen bonds into infinite chains along the...

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Veröffentlicht in:Acta crystallographica. Section E, Structure reports online Structure reports online, 2006-08, Vol.62 (8), p.o3393-o3395
Hauptverfasser: Trávníček, Zdeněk, Rosenker, Christopher J.
Format: Artikel
Sprache:eng
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Zusammenfassung:The structure of the title compound, C12H12N5BrO·H2O, consists of discrete mol­ecules connected by N—H⋯N hydrogen bonds to form centrosymmetric dimers, with an N⋯N distance of 2.839 (4) Å. The solvent water mol­ecules are linked by inter­molecular O—H⋯O hydrogen bonds into infinite chains along the [001] direction. The water mol­ecules with disordered H atoms also participate in O—H⋯O, N—H⋯O and O—H⋯N hydrogen bonds, with O⋯O, N⋯O and O⋯N distances of 2.728 (5) and 2.732 (5), 3.107 (3) and 2.748 (3) Å, respectively. In addition to conventional hydrogen bonds, there are several weak inter­atomic contacts of the type C⋯Br, and π‐stacking inter­actions of the types C⋯C and N⋯C.
ISSN:1600-5368
1600-5368
DOI:10.1107/S1600536806026419