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July 25, 2026Zeitschrift für Kristallographie - New Crystal StructuresOpen Access

The crystal structure of 7-benzyl-6-bromo-7 H -purine, C ₁₂ H ₉ BrN ₄

Lengfeng Chen Wei Xiong

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Key Points

The study aims to determine the crystal structure of 7-benzyl-6-bromo-7H-purine using X-ray diffraction techniques.
Monoclinic crystal system, space group P21/n
Lattice parameters measured: a = 14.9177(2) Å, b = 4.96550(5) Å, c = 16.2086(2) Å, β = 112.6400(18)°
Structure refined with Rgt(F) = 0.0217 and wRref(F2) = 0.0577 at T = 170 K.
Unit cell volume determined to be V = 1108.11(3) Å3
Four molecules per unit cell (Z = 4)
High precision indicates reliable crystal structure determination.

Implication

Analysis reveals the crystal structure of 7-benzyl-6-bromo-7H-purine, suggesting its potential applications in medicinal chemistry.

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Cite This Study

Chen et al. (2026) studied this question.

synapsesocial.com/papers/6a6700a340bca442e0d4a78f https://doi.org/10.1515/ncrs-2026-0299

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Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context:

1The crystal structure of 3-(bromomethyl)benzonitrile, C 8 H 6 BrNOriginal Research · 2026
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5The crystal structure of (<i>E</i>)-6-bromo-3,5-dimethyl-2-(1-phenylprop-1-en-2-yl)-3<i>H</i>imidazo[4,5<i>b</i>]pyridine, C<sub>17</sub>H<sub>16</sub>BrN<sub>3</sub>2024

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