title: The salt-type 1:2 adduct of meso-5,5,7,12,12,14-hexa-C-methyl-1,4,8,11-tetraazacyclotetradecane (tet-a) and 5-nitroisophthalic acid forms a hydrogen-bonded sheet structure containing two configurational isomers of [(tet-a)H2]2+.
abstract: The title compound, meso-5,7,7,12,14,14-hexamethyl-4,11-diaza-1,8-diazoniacyclotetradecane bis(3-carboxy-5-nitrobenzoate), C(16)H(38)N(4)(2+).2C(8)H(4)NO(6)(-), is a salt in which the cation is present as two configurational isomers, disordered across a common centre of inversion in P1, with occupancies of 0.847 (3) and 0.153 (3). The anions are linked into chains by a single O-H...O hydrogen bond [H...O 1.71 A, O...O 2.5063 (15) A and O-H...O 156 degrees ] and the cations link these anion chains into sheets by means of a range of N-H...O hydrogen bonds [H...O 1.81-2.53 A, N...O 2.718 (5)-3.3554 (19) A and N-H...O 146-171 degrees ].
authors.affiliation: CLRC Daresbury Laboratory, Daresbury, Warrington WA4 4AD, England.
authors.forename: Elizabeth J
authors.initials: EJ
authors.lastname: MacLean
authors.forename: Simon J
authors.initials: SJ
authors.lastname: Teat
authors.forename: Dorcas M M
authors.initials: DM
authors.lastname: Farrell
authors.forename: George
authors.initials: G
authors.lastname: Ferguson
authors.forename: Christopher
authors.initials: C
authors.lastname: Glidewell