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Analysis of an interpenetrated hydroquinone polymorph.
Algorithm:
1. Open the database Quinol and go to HYQUIN05 in the list (show Ref.Code names).
2. Open an IsoCryst window. Be sure that hydrogen bonds are checked in the Take column and in the Show column of the Options/Bonds tab.
3. Grow the structure several times and fit the image to the window.
4. Toggle on
mode and select one net in yellow and the second net in magenta (holding Ctrl) or green (holding Shift). There are two interpenetrated 3D H-bonded nets.
Exercise: Go back to your CIF_RES database of Module 1 and examine the interpenetrations there. You will find several cases up to 7-fold! But we will see how to compute interpenetration correctly in Module 6.
Algorithm:
1. Open the database Quinol and go to HYQUIN05 in the list (show Ref.Code names).
2. Open an IsoCryst window. Be sure that hydrogen bonds are checked in the Take column and in the Show column of the Options/Bonds tab.
3. Grow the structure several times and fit the image to the window.
4. Toggle on
mode and select one net in yellow and the second net in magenta (holding Ctrl) or green (holding Shift). There are two interpenetrated 3D H-bonded nets.
Exercise: Go back to your CIF_RES database of Module 1 and examine the interpenetrations there. You will find several cases up to 7-fold! But we will see how to compute interpenetration correctly in Module 6.
