What question did this study set out to answer?

The aim is to determine the crystal structure of a specific bicyclic compound.

June 9, 2026Zeitschrift für Kristallographie - New Crystal StructuresOpen Access

The crystal structure of (1 S , 2 S , 4 S )-5-bromo-1-(hydroxymethyl)-8,8-dimethoxy-7-oxobicyclo[2.2.2]oct-5-ene-2-carboxylic acid, C ₁₂ H ₁₅ BrO ₆

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The aim is to determine the crystal structure of a specific bicyclic compound.
Monoclinic crystal system, space group P21.
Crystal dimensions: a = 6.6827 Å, b = 13.4015 Å, c = 7.2255 Å.
Data collected at 100 K using X-ray diffraction.
Crystal volume measured at V = 644.80 Å³.
Refinement metrics: Rgt(F) = 0.0429 and wRref(F²) = 0.1079.
Structural confirmation of a bicyclic arrangement with precise lattice parameters.

Implication

Crystal structure reveals detailed geometry of a bicyclic compound, indicating important structural properties.

Abstract

C 12 H 15 BrO 6 , monoclinic, P 2 1 (no. 4), a = 6.6827(3) Å, b = 13.4015(6) Å, c = 7.2255(3) Å, β = 94.838(2)°, V = 644.80(5) Å 3 , Z = 2, R gt ( F ) = 0.0429, wR ref ( F 2 ) = 0.1079, T = 100 K.

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Cite This Study

Ma et al. (2026) studied this question.

synapsesocial.com/papers/6a27add2a963992e16267fe8 https://doi.org/10.1515/ncrs-2026-0196

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Implication

Crystal structure reveals detailed geometry of a bicyclic compound, indicating important structural properties.

The crystal structure of (1 S , 2 S , 4 S )-5-bromo-1-(hydroxymethyl)-8,8-dimethoxy-7-oxobicyclo[2.2.2]oct-5-ene-2-carboxylic acid, C ₁₂ H ₁₅ BrO ₆

Key Points

Implication

Abstract

Discussion

Cite This Study

The crystal structure of (1 S , 2 S , 4 S )-5-bromo-1-(hydroxymethyl)-8,8-dimethoxy-7-oxobicyclo[2.2.2]oct-5-ene-2-carboxylic acid, C ₁₂ H ₁₅ BrO ₆

Key Points

Implication

Abstract

Discussion

Cite This Study

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