organic compounds
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The title compound, C26H40N2O2, has both its N atoms in trigonal-pyramidal geometries. The molecular structure is stabilized by O—HN and C—HO hydrogen bonds. In the crystal, C—Hπ interactions lead to the formation of a supramolecular helical chain along the b-axis direction.
organic compounds
Open access
In the title hydrated molecular salt, C3H8N+·C2HO4−·0.5H2O, the water O atom lies on a crystallographic twofold axis. The C=C—C—N torsion angle in the cation is 2.8 (3)° and the dihedral angle between the CO2 and CO2H planes in the anion is 1.0 (4)°. In the crystal, the hydrogen oxalate ions are linked by O—HO hydrogen bonds, generating [010] chains. The allylammonium cations bond to the chains through N—HO and N—H(O,O) hydrogen bonds. The water molecule accepts two N—HO hydrogen bonds and makes two O—HO hydrogen bonds. Together, the hydrogen bonds generate (100) sheets.
Keywords: crystal structure.
data reports
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The asymmetric unit of the title compound, C2H8N+·C4H5O4−, consists of two allylammonium cations and two hydrogen succinate anions (Z′ = 2). One of the cations has a near-perfect syn-periplanar (cis) conformation with an N—C—C—C torsion angle of 0.4 (3)°, while the other is characterized by a gauche conformation and a torsion angle of 102.5 (3)°. Regarding the anions, three out of four carboxilic groups are twisted with respect to the central C–CH2–CH2–C group [dihedral angles = 24.4 (2), 31.2 (2) and 40.4 (2)°], the remaining one being instead almost coplanar, with a dihedral angle of 4.0 (2)°. In the crystal, there are two very short, near linear O—HO hydrogen bonds between anions, with the H atoms shifted notably from the donor O towards the OO midpoint. These O—HO hydrogen bonds form helical chains along the [011] which are further linked to each other through N—HO hydrogen bonds (involving all the available NH groups), forming layers lying parallel to (100).