Bis(6-nitro-1,10-phenanthrolin-1-ium) 2,5-di-carb-oxy-terephthalate.

ABSTRACT: In the structure of the title 2:1 proton-transfer compound, 2C12H8N3O2 (+)·C10H4O8 (2-), the 6-nitro-1,10-phenanthroline mol-ecules act as proton sponges, accepting protons from pyromellitic acid. The -NO2 group of one of the 6-nitro-1,10-phenanthrolin-1-ium cations is disordered and was refined with a site-occupancy ratio of 0.624?(15):0.376?(15). Two -COOH(-COO(-)) groups of the 2,5-di-carb-oxy-terephthalate dianion are disordered and were refined with site-occupancy ratios of 0.769?(4):0.231?(4) and 0.766?(5):0.234?(5). The -NO2 group of the second cation is also disordered about a pseudo-twofold rotation axis and was refined with a site-occupancy ratio of 0.903?(3):0.097?(3). There is an intra-molecular O-H?O hydrogen bond in the anion. The phenanthroline rings of the two cations are inclined to one another by 31.3?(1)°. In the anions, considering the major components only, the carb-oxy-lic acid groups (-COOH) are inclined to the benzene ring by 17.3?(2) and 22.3?(3)°. The carboxyl-ate groups (-COO(-)) are twisted by 9.3?(2) and 13.6?(6)° with respect to the benzene ring. In the crystal, adjacent 2,5-di-carb-oxy-terephthalate anions are linked via O-H?O hydrogen bonds, forming chains propagating along [010]. The cations are attached to the chain of anions by N-H?O hydrogen bonds.

SUBMITTER: Zhong KL 

PROVIDER: S-EPMC3998480 | biostudies-literature | 2014 Mar

REPOSITORIES: biostudies-literature