 | Acta Crystallographica Section B Acta Crystallographica Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS |
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![[Figure 10]](bi5041fig10mag.jpg)
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Figure 10
The four carboxyl–carboxylate dimer types and their rotamer distribution around the interlinking hydrogen bond for structures with R ≤ 0.05. The C and O atoms not belonging to the interacting carboxyl or carboxylate groups are shown in light blue, N atoms are shown in magenta. (a) (Left) Antiplanar SS dimer involving two fumaric acid molecules (HUSSUJ). (Middle) Synplanar SS dimer (JEDPUE). An NH4+ molecule links the carboxyl(ate) groups. The light blue spheres indicate that the molecule has been truncated for visualization purposes. (Right) O1—O2—O3—O4 dihedral angle rotamer histogram. (b) Antiplanar SA dimer involving two fumaric acid molecules (CLEMAS) and O1—O2—C3—C4 dihedral angle rotamer histogram. (c) Antiplanar AS dimer involving two fumaric acid molecules (SEGSAZ) and O1—O2—O3—O4 dihedral angle rotamer histogram. (d) Antiplanar AA dimer involving two fumaric acid molecules (BAHLEC) and C1—C2—C3—C4 dihedral angle rotamer histogram. |
![[Figure 10]](bi5041fig10.jpg)
| STRUCTURAL SCIENCE CRYSTAL ENGINEERING MATERIALS |
ISSN: 2052-5206
