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Figure 2
Geometric parameters used for separating the carboxyl syn and anti conformers. The syn conformers are defined by a θ value below 120° (marked by a blue dashed line on the histogram; θ corresponds to the O⋯O—H angle). The anti conformers are defined by a θ value greater than 120°. The histogram has been derived from an ensemble of low R-factor (R ≤ 0.05) carboxylic acid containing structures.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 71| Part 2| March 2015| Pages 164-175
doi:10.1107/S205252061500270X
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