Figure 9
Distributed atomic polarizabilities of violuric acid (a) isolated, (b) taken from VA, (c) isolated ion, (d) taken from (I), (e) taken from (II), (f) taken from (III). The scaling factor is 0.4 Å−2. Dashed lines indicate interactions with the oxime group, arrows indicate the direction of the hydrogen bond from donor to acceptor. Symmetry codes: (i) −x + 1, −y + 1, z + 1/2; (ii) −x + 1/2, y − 1/2, −z; (iii) x, y − 1, z; (iv) −x + 1, −y, −z; (v) −x, y + 1/2, −z + 1/2; (vi) −x, −y + 1, −z + 1; and (vii) x, y + 1, z. |