Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 12 (December 2013)


metal-organic compounds



Acta Cryst. (2013). C69, 1472-1477    [ doi:10.1107/S0108270113028977 ]

Coordination polymeric structures in the sodium salt of 4-chloro-3-nitro­benzoic acid and the sodium and potassium salts of 4-nitro­anthranilic acid

G. Smith

Abstract: The structures of the hydrated sodium salts of 4-chloro-3-nitro­benzoic acid {poly[aqua­([mu]4-4-chloro-3-nitro­ben­zoato)sodium(I)], [Na(C7H3ClNO4)(H2O)]n, (I)} and 2-amino-4-nitro­benzoic acid {poly[[mu]-aqua-aqua­([mu]3-2-amino-4-nitro­benzo­ato)sodium(I)], [Na(C7H5N2O4)(H2O)2]n, (II)}, and the hydrated potassium salt of 2-amino-4-nitro­benzoic acid {poly[[mu]-aqua-aqua­([mu]5-2-amino-4-nitro­benzoato)potassium(I)], [K(C7H5N2O4)(H2O)]n, (III)} have been determined and their complex polymeric structures described. All three structures are stabilized by intra- and inter­molecular hydrogen bonding and strong [pi]-[pi] ring inter­actions. In the structure of (I), the distorted trigonal bipyrimidal NaO5 coordination polyhedron comprises a monodentate water mol­ecule and four bridging carboxyl­ate O-atom donors, generating a two-dimensional polymeric structure lying parallel to (001). Intra-layer hydrogen-bonding associations and strong inter-ring [pi]-[pi] inter­actions are present. Structure (II) has a distorted octa­hedral NaO6 stereochemistry, with four bridging O-atom donors, two from a single carboxyl­ate group and two from a single nitro group and three from the two water mol­ecules, one of which is bridging. Na centres are linked through centrosymmetric four-membered duplex water bridges and through 18-membered duplex head-to-tail ligand bridges. Similar centrosymmetric bridges are found in the structure of (III), and in both (II) and (III) strong inter-ring [pi]-[pi] inter­actions are found. A two-dimensional layered structure lying parallel to (010) is generated in (II), whereas in (III) the structure is three-dimensional. With (III), the irregular KO7 coordination polyhedron comprises a doubly bridging water mol­ecule, a single bidentate bridging carboxyl­ate O-atom donor and three bridging O-atom donors from the two nitro groups. A three-dimensional structure is generated. These coordination polymer structures are among the few examples of metal complexes of any type with either 4-chloro-3-nitro­benzoic acid or 4-nitro­anthranilic acid.

CCDC references: 967694, 967695 and 967696

Formula: [Na(C7H3ClNO4)(H2O)], [Na(C7H5N2O4)(H2O)2] and [K(C7H5N2O4)(H2O)]

Keywords: crystal structure; coordination polymers; hydrated sodium salts; hydrated potassium salts; 4-chloro-3-nitro­benzoic acid; 4-nitro­anthranilic acid.


hkldisplay filedownload file

Structure factor file (CIF format) (86.9 kbytes)
[ doi:10.1107/S0108270113028977/ov3041Isup2.hkl ]
Contains datablock I


hkldisplay filedownload file

Structure factor file (CIF format) (93.0 kbytes)
[ doi:10.1107/S0108270113028977/ov3041IIsup3.hkl ]
Contains datablock II


hkldisplay filedownload file

Structure factor file (CIF format) (87.9 kbytes)
[ doi:10.1107/S0108270113028977/ov3041IIIsup4.hkl ]
Contains datablock III


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