Room-temperature single-crystal X-ray structure determinations are recorded
for 4-nitrophenolate (4-np-) salts of Group 2 metal
ions, variously hydrated,
M(4-np)2.xH2O,
M = Mg, Ca, Sr, Ba.
Mg(4-np)2.8H2 O is monoclinic,
P21/c,
a 12·402(3), b 6·673(7),
c 11·833(6) Å, β 93·70(3)°,
Z = 2; conventional R on
|F| was 0·041 for
No 1995 independent
‘observed’ (I >
3σ(I)) reflections.
Ca(4-np)2.4H2O is monoclinic,
P21/c,
a 13·109(8), b
3·644(1), c 21·181(8) Å, β
125·55(3)°, Z= 2,
R 0·050 for No 1371.
Sr(4-np)2.8H2O is monoclinic,
P21/n, a
7·934(1), b 10·658(1),
c 23·602(2) Å, β 91·36(1)°,
Z = 4, R 0·038 for
No 2050.
Ba(4-np)2.8H2O is monoclinic
P21/c,
a 15·990(8), b
6·337(3), c 25·634(8) Å, β
126·1(3)°, Z = 4,
R 0·021 for
No 3115. The magnesium salt is
ionic with
[Mg(OH2)6]2+
cations and interleaved anion stacks up b. The calcium
salt is a one-dimensional polymer with ...
Ca(µ-O)2Ca(µ-O)2Ca ...
spine, the bridges being phenolic oxygen
atoms.trans-Coordinated water molecules make up
six-coordination about the calcium, the anion planes stacking at the
b spacing. The strontium adduct is also a
one-dimensional polymer with a similar spine, but with water molecule oxygen
atoms bridging, the nine-coordinate strontium environment being made up by a
chelating nitro group and three unidentate water molecules. Coordinated anions
stacked up a are interleaved by free anions. The barium
salt is simply
[Ba(4-np)(OH2)8]+
(4-np-), the ligand anion (semi)chelated through the
nitro pair of oxygen atoms, again with interleaving anion/ligand stacking.