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14
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53749101622
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Additional interactions of the bromide ions with the H(8) atom: C(8)-H(8)⋯Br, C(8)⋯Br 3.604(5) Å, angle at H(8) 143°; were not considered, as the C(8)⋯Br distance exceeds the sum of the contact radii (ca. 3.55 Å).
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Additional interactions of the bromide ions with the H(8) atom: C(8)-H(8)⋯Br, C(8)⋯Br 3.604(5) Å, angle at H(8) 143°; were not considered, as the C(8)⋯Br distance exceeds the sum of the contact radii (ca. 3.55 Å).
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15
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53749090028
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A search in Cambridge Structural Database (version 5.24 of November 2004 with updates of February, May and August 2005) revealed a rather low ability of bromide ions to attract water molecules into the organic crystals. Among 3923 structures of bromide salts with organic cations, only about 8% feature water molecules in distances suitable for O-H⋯Br hydrogen bond formation.
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A search in Cambridge Structural Database (version 5.24 of November 2004 with updates of February, May and August 2005) revealed a rather low ability of bromide ions to attract water molecules into the "organic" crystals. Among 3923 structures of bromide salts with organic cations, only about 8% feature water molecules in distances suitable for O-H⋯Br hydrogen bond formation.
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16
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53749105148
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The corresponding hydrogensulfate salt, which was obtained as described for the bromide except that 1 mL of 96% H2SO4 was used, crystallizes with one water molecule per diprotonated bis(purine) unit. However, in regard to the arrangement of the organic part and distribution of the anions, the structures of both salts can be considered isostructural. Crystallographic data for [1aH2](HSO4) 2·H2O ≡ (C24H20N 8)(HSO4)2·H2O: tetragonal, I41/a (no. 88, a, b, 30.364(1) Å, c, 5.9130(1) Å; V, 5451.6(3) Å3, Z, 8. CCDC-672187
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3, Z = 8. CCDC-672187.
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A. L. Spek, Platon: A Multipurpose Crystallographic Tool, Utrecht University, The Netherlands, 2003 and updates. Distributed via: http://www.cryst.chem.uu.nl/platon/
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