Abstract
The structure of ebastinium hydrogen fumarate {systematic name: 1-[4-(4-tert-butylphenyl)-4-oxobutyl]-4-(diphenylmethoxy)piperidin-1-ium (E)-3-carboxy-1-hydroxyprop-2-en-1-olate}, C32H40NO2 +·C4H3O4 -, a 1:1 salt formed in the reaction between ebastine and fumaric acid is presented. All examined crystals were found to be twinned by pseudo-merohedry. The structure is extensively disordered, with over half (20 out of 35) its non-hydrogen atoms modelled as lying over two sets of sites. In the crystal, cation-anion pairs are linked by a strong N-HO hydrogen bond [NO = 2.697 (11) Å]. These units interact via weaker C-HO and C-Hπ contacts to form layers lying parallel to the bc plane. The hydrogen fumarate anions are linked by a very short O-HO hydrogen bond [OO = 2.5402 (17) Å], augmented by weak C-HO contacts into pairs of R 2 2(6) ring motifs to form chains that extend parallel to the b-axis direction. Comparisons to similar crystal structures are presented.
Original language | English |
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Pages (from-to) | 916-921 |
Number of pages | 6 |
Journal | Acta Crystallographica Section E: Crystallographic Communications |
Volume | 78 |
DOIs | |
State | Published - Sep 1 2022 |
Bibliographical note
Publisher Copyright:© 2022 Priyanka et al.
Keywords
- crystal structure
- disorder
- ebastine
- hydrogen fumarate
- pseudo-merohedral twinning
ASJC Scopus subject areas
- General Chemistry
- General Materials Science
- Condensed Matter Physics