Benzylammonium hexanoate

Wood, Mary H.; Clarke, Stuart M.

doi:10.1107/s1600536812039931

Cited by 3 publications

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“…As an amine derivative, besides the NH 2 group, benzylamine bears the rigid benzene ring and the somewhat flexible CH 2 spacer linking the NH 2 group and the benzene ring, which can provide more complex nonbonding interactions when it interacted with the carboxylic acids. To the best of our knowledge there are very few reports involving the organic acid-base adducts concerning the benzylamine [23,24].…”

Section: Introductionmentioning

confidence: 97%

Crystal and Molecular Structure of Four Organic Salts from Benzylamine and Carboxylic Acids

et al. 2015

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Four salts benzylammonium (4-chloro-phenoxy)-acetate monhydrate (1), benzylammonium 3,5-dinitrosalicylate (2), benzylammonium 2,5-bis-benzylcarbamoyl-terephthalate (3), and benzylammonium 4-nitro-phthalate monohydrate (4) were obtained from self-assembly of the corresponding carboxylic acids with the benzylamine, and their structures were fully characterized. All four compounds are ionic, with proton transfer occurring to the NH 2 of the benzylamine moiety. Compound 1 crystallizes in the Monoclinic, space group P2(1)/ n, with a = 6.7577(5) Å , b = 8.3490 (7) Å , c = 28.658(2) Å , b = 95.765(2)°, V = 1608.7(2) Å 3 , Z = 4. Compound 2 crystallizes in the Triclinic, space group P-1, with a = 9.7082(11) Å , b = 10.9970(11) Å , c = 15.9915(17) Å , a = 98.2230(10)°, b = 102.6500(10)°, c = 114.105(2)°, V = 1467.9(3) Å 3 , Z = 4. Compound 3 crystallizes in the Monoclinic, space group P2(1)/c, with a = 15.8100(12) Å , b = 5.6638(3) Å , c = 20.1245(17) Å , b = 106.857(2)°, V = 1724.6(2) Å 3 , Z = 2. Compound 4 crystallizes in the Monoclinic, space group Pc, with a = 17.3360(19) Å , b = 9.4133(8) Å , c = 14.5066(16) Å , b = 112.104(2)°, V = 2193.3(4) Å 3 , Z = 4. Supramolecular architectures of the compounds 1-4 involve O-HÁÁÁO/N-HÁÁÁO/N-HÁÁÁN hydrogen bonds as well as other non-covalent associations. These salts displayed 2D-3D framework structures for the synergistic effect of the various non-covalent interactions.Graphical Abstract The crystal structures of the benzylamine salts with (4-chloro-phenoxy)-acetic acid, 3,5-dinitrosalicylic acid, 2,5-bis-benzylcarbamoyl-terephthalic acid, and 4-nitro-phthalic acid show extensive hydrogen bonding as well as other noncovalent interactions, linking discrete components into higher-dimensional networks.

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Section: Introductionmentioning

confidence: 97%

Crystal and Molecular Structure of Four Organic Salts from Benzylamine and Carboxylic Acids

et al. 2015

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(S)-(−)-1-Phenylethanaminium hexanoate

Wood¹,

Clarke²

2012

Acta Cryst E

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Benzylammonium heptanoate

Wood¹,

Clarke²

2013

Acta Cryst E

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The title 1:1 stoichiometric salt, C7H10N+·C7H13O2 −, is formed by proton transfer between heptanoic acid and benzylamine. This combination contrasts to the recently published 2:1 acid–amine adduct of cation, anion and neutral acid molecule from the same components [Wood & Clarke (2013 ▶). Acta Cryst. E69, o346–o347]. There are N—H⋯O hydrogen bonds of moderate strength in the structure [the most important graph-set motifs are R 2 4(8) and R 4 4(12)], as well as weak C—H⋯O interactions.

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Benzylammonium hexanoate

Cited by 3 publications

References 10 publications

Crystal and Molecular Structure of Four Organic Salts from Benzylamine and Carboxylic Acids

Crystal and Molecular Structure of Four Organic Salts from Benzylamine and Carboxylic Acids

(S)-(−)-1-Phenylethanaminium hexanoate

Benzylammonium heptanoate

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