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August 18, 2026Zeitschrift für Kristallographie - New Crystal StructuresOpen Access

The twinned crystal structure of 4-chloro-7-((2-(trimethylsilyl)ethoxy)methyl)-7 H -pyrrolo[2,3- d ]pyrimidine, C ₁₂ H ₁₈ ClN ₃ OSi

Yong Li Jingjing Wang

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Key Points

To determine the molecular configuration and twinned crystal packing of the protected pyrrolopyrimidine derivative C12H18ClN3OSi.
Single-crystal X-ray diffraction analysis conducted at a temperature of 170.0 K.
Determined that the compound crystallizes in the orthorhombic space group Pna2₁ (no. 33) with Z = 8.
Measured unit cell dimensions of a = 19.2128(11) Å, b = 7.2077(4) Å, c = 21.8427(13) Å, and volume V = 3024.8(3) Å³.
Achieved final structural refinement parameters of R_gt(F) = 0.0382 and wR_ref(F²) = 0.0965.

Implication

Crystallographic analysis reveals the twinned orthorhombic structure of C12H18ClN3OSi at 170 K, providing precise atomic coordinates.

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Cite This Study

Li et al. (2026) studied this question.

synapsesocial.com/papers/6a86b5eb8a91293e6a1cd819 https://doi.org/10.1515/ncrs-2026-0316

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