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Volume: 20 | Article ID: art00028_1
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Crystal Structure of Some Charge-Control Agents: 3,5-di-tert-butyl-2-hydroxybenzoic Acid and its Zinc Complexes
Jin Mizuguchi
  DOI :  10.2352/ISSN.2169-4451.2004.20.1.art00028_1  Published Online :  January 2004
Abstract

The title compounds are charge-control agents used in electrophotography. In 3,5-Di-tert-butyl-2-hydroxybenzoic acid (TBS), there are two independent molecules A and B in the asymmetric unit. The molecules form centrosymmetric dimers A-A and B-B via pair of O−H…O hydrogen bonds between the two carboxyl groups. On the other hand, the zinc complex of TBS (Zn(TBS)2) is found to include solvent molecules when recrystallized from ethanol and acetonitrile: (Zn(TBS)2) (ethanol)2 and (Zn(TBS)2) (acetnitrile)2. The former complex has C2 symmetry, and exhibits a deformed octahedral coordination. Two O atoms of the ethanol molecules are coordinated in a cis fashion to the Zn atom. On the other hand, the latter forms a trinuclear complex: one central six-coordinate Zn complex and two four-coordinate Zn ones. Each O-ligand of TBS is coordinated to a different Zn atom.

Journal Title : NIP & Digital Fabrication Conference
Publisher Name : Society of Imaging Science and Technology
Publisher Location : 7003 Kilworth Lane, Springfield, VA 22151, USA
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 DOI 10.2352/ISSN.2169-4451.2004.20.1.art00028_1
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Jin Mizuguchi, "Crystal Structure of Some Charge-Control Agents: 3,5-di-tert-butyl-2-hydroxybenzoic Acid and its Zinc Complexes"  in Proc. IS&T Int'l Conf. on Digital Printing Technologies (NIP20),  2004,  pp 119 - 122,  https://doi.org/10.2352/ISSN.2169-4451.2004.20.1.art00028_1

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Articles
Crystal Structure of Some Charge-Control Agents: 3,5-di-tert-butyl-2-hydroxybenzoic Acid and its Zinc Complexes
MizuguchiJin
01012004
2004
1
119
122
2004
The title compounds are charge-control agents used in electrophotography. In 3,5-Di-tert-butyl-2-hydroxybenzoic acid (TBS), there are two independent molecules A and B in the asymmetric unit. The molecules form centrosymmetric dimers A-A and B-B via pair of O−H…O hydrogen bonds between the two carboxyl groups. On the other hand, the zinc complex of TBS (Zn(TBS)2) is found to include solvent molecules when recrystallized from ethanol and acetonitrile: (Zn(TBS)2) (ethanol)2 and (Zn(TBS)2) (acetnitrile)2. The former complex has C2 symmetry, and exhibits a deformed octahedral coordination. Two O atoms of the ethanol molecules are coordinated in a cis fashion to the Zn atom. On the other hand, the latter forms a trinuclear complex: one central six-coordinate Zn complex and two four-coordinate Zn ones. Each O-ligand of TBS is coordinated to a different Zn atom.