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Crystal structure of morpholin-4-ium cinnamate.

ABSTRACT: In the anhydrous salt formed from the reaction of morpholine with cinnamic acid, C4H10NO(+)·C9H7O2 (-), the acid side chain in the trans-cinnamate anion is significantly rotated out of the benzene plane [C-C-C- C torsion angle = 158.54?(17)°]. In the crystal, one of the the aminium H atoms is involved in an asymmetric three-centre cation-anion N-H?(O,O') R 1 (2)(4) hydrogen-bonding inter-action with the two carboxyl-ate O-atom acceptors of the anion. The second aminium-H atom forms an inter-species N-H?Ocarboxyl-ate hydrogen bond. The result of the hydrogen bonding is the formation of a chain structure extending along [100]. Chains are linked by C-H?O inter-actions, forming a supra-molecular layer parallel to (01-1).

SUBMITTER: Smith G 

PROVIDER: S-EPMC4645001 | biostudies-literature | 2015 Nov

REPOSITORIES: biostudies-literature

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Crystal structure of morpholin-4-ium cinnamate.

Smith Graham G  

Acta crystallographica. Section E, Crystallographic communications 20151017 Pt 11

In the anhydrous salt formed from the reaction of morpholine with cinnamic acid, C4H10NO(+)·C9H7O2 (-), the acid side chain in the trans-cinnamate anion is significantly rotated out of the benzene plane [C-C-C- C torsion angle = 158.54 (17)°]. In the crystal, one of the the aminium H atoms is involved in an asymmetric three-centre cation-anion N-H⋯(O,O') R 1 (2)(4) hydrogen-bonding inter-action with the two carboxyl-ate O-atom acceptors of the anion. The second aminium-H atom forms an inter-spec  ...[more]

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