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Crystal structure of allyl-ammonium hydrogen succinate at 100?K.

ABSTRACT: The asymmetric unit of the title compound, C2H8N(+)·C4H5O4 (-), consists of two allyl-ammonium 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-H?O hydrogen bonds between anions, with the H atoms shifted notably from the donor O towards the O?O midpoint. These O-H?O hydrogen bonds form helical chains along the [011] which are further linked to each other through N-H?O hydrogen bonds (involving all the available NH groups), forming layers lying parallel to (100).

SUBMITTER: Dziuk B

PROVIDER: S-EPMC4186065 | biostudies-literature | 2014 Sep

REPOSITORIES: biostudies-literature

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Crystal structure of allyl-ammonium hydrogen succinate at 100 K.

Dziuk Błażej B Zarychta Bartosz B Ejsmont Krzysztof K

Acta crystallographica. Section E, Structure reports online 20140801 Pt 9

The asymmetric unit of the title compound, C2H8N(+)·C4H5O4 (-), consists of two allyl-ammonium 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), ...[more]

PMID: 25309251

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