and 2 formula units per cell. The structure was fully determined by Fourier methods in three dimensions.The molecules Cu(C6I-I 4 . OH. COO)~2 H20 are planar and centrosymmetric about the Cu-atoms. They are linked in the structure by a system of hydrogen bonds in which the two remaining water molecules, placed in the channels left by the large molecules, also take part.Cu is in a plane 4-coordination with two oxygens of water in trans-position at 1.92 A and two oxygens from the carboxyl group at 1.84/~ distance. The other two carboxyle oxygens are outside the sphere of coordination of Cu, and the compound is therefore not a chelate.The salicylic radical is plane except for one protruding carboxyle oxygen, and the planes are arranged at intervals of 3.60 A.
Einleitung
The crystal structure of pyridoxine hydrochloride was determined directly by means of the heavy atom method and by the symbolic addition procedure from three-dimensional data, and the efficiency of both methods was compared. The space group is P i and the cell dimensions are: a = 9.52, b = 5-803, c = 9.56 A; ~ = 93-9, fl = 115"4, 7, = 98.6 °. The pyridoxine molecule is truly planar with the exception of the oxygen atom from the CH2OH group participating in an intramolecular hydrogen bond. The increase of the C-N-C bond angle in the pyridine ring is discussed. The pyridoxine ions are connected by intermolecular hydrogen bonds of the type O-H..-O, N-H..-C1, O-H-.. C1. The estimated standard deviations for bond lengths and angles are 0-005 A and 0.3 ° respectively.
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