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Figure 2
A simplified packing diagram for (I[link]), showing the Ca coordination sphere (thin solid lines) and zwitterionic hydrogen bonds (dotted lines), as well as some involving N atoms and water (dashed lines). Atoms labelled with a dollar sign ($), ampersand (&), hash (#), prime (′), tilde (~) or asterisk (*) are at symmetry positions (1 − x, −y, −z), (1 − x, y, −z[{1 \over 2}]), (1 − x, 1 − y, −z), (x + [{1 \over 2}], [{1 \over 2}]y, z + [{1 \over 2}]), ([{3 \over 2}]x, [{1 \over 2}]y, −z) or (x + [{1 \over 2}], y + [{1 \over 2}], z), respectively.

Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296
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