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Structures for Polymorphs of Triphenyl chloromethane. Triphenylacetic Acid Illustrates the Isomorphous Stable Modification

 

作者: Bart Kahr,   RandallL. Carter,  

 

期刊: Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals  (Taylor Available online 1992)
卷期: Volume 219, issue 1  

页码: 79-100

 

ISSN:1058-725X

 

年代: 1992

 

DOI:10.1080/10587259208032120

 

出版商: Taylor & Francis Group

 

关键词: Triphenylchloromethane;Polymorphism;Triphenylacetic Acid;Differential scanning calorimetry;X-ray structure determination

 

数据来源: Taylor

 

摘要:

Triphenylacetic acid is isomorphous with the published structure of triphenylchloromethane (I). It crystallizes in the trigonal system, space group P3, witha=b=14.105(3)Å,c=13.121(2)ÅV=2261(1)Å3,Z=6 at 175K. The structure was solved by direct methods and refined toR(F0)=0.062. We determined the structures for two triclinic polymorphs of triphenylchloromethane,IIandIII. The three forms were obtained from pentane evaporated at room temperature. PhasesIandIIIwere isolated from particular solvent systems. Crystal data (II): triclinic system, space group P3, witha=13.028(1)Å,b=13.559(2)Å,c=13.969(3)Å, α=117.67(1)°, β=92.67(1)°, γ=91.43(1)°,V=2179.9Å3,Z=6 at 228K. The structure was solved by direct methods and refined toR(F0)=0.045. Crystal data (III): triclinic system, space group P3, witha=14.1562(4)Å,b=21.3190(7)Å,c=13.0654(5)Å, α=99.92(3)°, β=92.68(3)°, γ=106.15(2)°,V=3712(2)Å3,Z=10 at 248K. The structure was solved by direct methods and refined toR(Fo)=0.064. A batch of crystals from pentane showed three peaks in the DSC thermogram at 99°C (III), 108°C (II), and 111°C (I). PhaseIIImelts without being transformed to phaseIIor phaseI. PhaseIIcould not be isolated for calorimetric studies.

 

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