A Low Temperature Structure of Nonane-1,9-Diaminium Chloride Chloroacetate: Hydroxyacetic Acid (1:1)

作者：Paul Agnieszka^*; Kubicki Maciej

来源：Journal of Chemical Crystallography, 2011, 41(5): 703-707.

DOI：10.1007/s10870-010-9957-6

• Nonane-1
• 9-diaminium
• Conformation
• Crystal packing
• Hydrogen bonds
• Layer structure

The crystal structure of nonane-1,9-diaminium chloride chloroacetate-hydroxyacetic acid (1:1) was determined by X-ray diffraction at 100(1)K. The asymmetric unit is composed of diaminium dication, chloroacetate and chloride anions, and neutral hydroxyacetic acid molecule. The aliphatic chain of 1,9-diamine is fully extended and it deviates only slightly from the perfect all-trans conformation. The two acidic residues are also nearly planar. The layer structure is obtained as a consequence of hydrogen bond interactions of a different lengths, with N-H and O-H groups playing the role of donors and oxygen atoms and chloride cations as acceptors. The pattern of H bonding is investigated by graph-set analysis. Crystal data: crystal system: monoclinic, a = 4.6418 (2) angstrom, b = 25.5128 (11) angstrom, c = 15.9943 (9) angstrom, beta = 99.784 (5)A degrees, Z = 4, space group: P21/c, V = 1866.6(1) angstrom(3).

• 出版日期2011-5