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 |
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Hauptverfasser: | , |
Format: | Artikel |
Sprache: | eng |
Online-Zugang: | Volltext |
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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. |
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ISSN: | 1600-5368 1600-5368 |
DOI: | 10.1107/S1600536806026419 |