4-(2-Benzimidazolyl)-3,5-di-tert-butylphenol

Crystal lattice analysis by Clifford George (Naval Research Laboratory) and Paul M. Lahti
Synthesis by Jong Choi, UMass Chem Major '01, Pfizer PREPARE Fellow '00

Jong found that this compound was quite challenging to crystallize to standards that
would allow full x-ray analysis, but Cliff George of NRL managed to get a final analysis
by a mixed-solvent, slow evaporation method. Jong found that the compound incorporated
DMF and phosphoric acid anhydrides (P4O10 ws in the DMF) to give an interesting
hydrogen-bonding network that is quite different from the H-bonded chains without solvent.

Structural Manipulations

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.. Single Molecule (a-phase) ...Single Unit Cell (b-phase)
...H-bonded chains ...Solvents removed
...Unit Cell On (a-phase) ...Unit Cell On (b-phase)
 Details of making this page.

See also the Lahti group WWW page for further crystal data.
Hydrogen Bonded Chain, No Solvent (picture)
Hydrogen Bonded Network, Solvent Incorporated (picture)
Tables of Crystallographic Data (no solvent, solvent)
Download Molecule CIF File (no solvent, solvent)
Mercury file, no solvent
Mercury file, with solvent

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