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Crystal structure of morpholin-4-ium cinnamate.

Smith G - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: 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.Chains are linked by C-H⋯O inter-actions, forming a supra-molecular layer parallel to (01-1).

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Affiliation: Science and Engineering Faculty, Queensland University of Technology, GPO Box 2434, Brisbane, Queensland 4001, Australia.

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).

No MeSH data available.


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The one-dimensional hydrogen-bonded polymeric structure extending along a. For symmetry codes, see Table 1.
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Fap2: The one-dimensional hydrogen-bonded polymeric structure extending along a. For symmetry codes, see Table 1.


Crystal structure of morpholin-4-ium cinnamate.

Smith G - Acta Crystallogr E Crystallogr Commun (2015)

The one-dimensional hydrogen-bonded polymeric structure extending along a. For symmetry codes, see Table 1.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4645001&req=5

Fap2: The one-dimensional hydrogen-bonded polymeric structure extending along a. For symmetry codes, see Table 1.
Bottom Line: 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.Chains are linked by C-H⋯O inter-actions, forming a supra-molecular layer parallel to (01-1).

View Article: PubMed Central - HTML - PubMed

Affiliation: Science and Engineering Faculty, Queensland University of Technology, GPO Box 2434, Brisbane, Queensland 4001, Australia.

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).

No MeSH data available.


Related in: MedlinePlus