Hydrogen bonding in the crystal structure of the organic salt ( <i>R</i> )-1-phenylethan-1-aminium ( <i>R</i> )-5-(1,2-dithiolan-3-yl)pentanoate – a salt of the lipoic acid

Abstract C 16 H 25 NO 2 S 2 , monoclinic, P 2 1 (no. 4), a = 10.8352(3) Å, b = 6.3694(2) Å, c = 13.3196(4) Å, β = 107.681(4)°, Z = 2, V = 875.81(5) Å 3 , R gt ( F ) = 0.0233, w R ref = 0.0525, Flack–Parsons-parameter: −0.002(6) using 1518 quotients [(I+)−(I−)]/[(I+)+(I−)] (Parsons, S.; Flack, H. D.; Wagner, T. Use of Intensity Quotients and Differences in Absolute Structure Refinement. Acta Crystallogr. 2013 , B69, 249–259), T = 150(2) K.

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Publication Details

Journal
Zeitschrift für Kristallographie - New Crystal Structures
Published
2025-10-29
DOI
https://doi.org/10.1515/ncrs-2025-0358
Primary Topic
Biochemical Acid Research Studies
Type
article
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article

Hydrogen bonding in the crystal structure of the organic salt ( R )-1-phenylethan-1-aminium ( R )-5-(1,2-dithiolan-3-yl)pentanoate – a salt of the lipoic acid

Guido J. Reiß
Zeitschrift für Kristallographie - New Crystal Structures
Biochemical Acid Research Studies
article

Hydrogen bonding in the crystal structure of the organic salt ( R )-1-phenylethan-1-aminium ( R )-5-(1,2-dithiolan-3-yl)pentanoate – a salt of the lipoic acid

Guido J. Reiß
article en

Abstract

Abstract C 16 H 25 NO 2 S 2 , monoclinic, P 2 1 (no. 4), a = 10.8352(3) Å, b = 6.3694(2) Å, c = 13.3196(4) Å, β = 107.681(4)°, Z = 2, V = 875.81(5) Å 3 , R gt ( F ) = 0.0233, w R ref = 0.0525, Flack–Parsons-parameter: −0.002(6) using 1518 quotients [(I+)−(I−)]/[(I+)+(I−)] (Parsons, S.; Flack, H. D.; Wagner, T. Use of Intensity Quotients and Differences in Absolute Structure Refinement. Acta Crystallogr. 2013 , B69, 249–259), T = 150(2) K.

Zeitschrift für Kristallographie - New Crystal StructuresVol. 241(1)
Heinrich Heine University Düsseldorf (DE)
Openalex Percentile: Top 69%
Biochemical Acid Research Studies
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