Structures for polymorphs of triphenylchloromethane. Triphenylacetic acid illustrates the isomorphous stable modification

Bart Kahr, Randall L. Carter

Research output: Contribution to journalArticle

Abstract

Triphenylacetic acid is isomorphous with the published structure of triphenylchloromethane (I). It crystallizes in the trigonal system, space group P3, with a=b=14.105(3)Å c=13.121(2)Å, V=2261(1)Å3, Z=6 at 175K. The structure was solved by direct methods and refined to R(Fo)=0.062. We determined the structures for two triclinic polymorphs of triphenylchloromethane, II and III. The three forms were obtained from pentane evaporated at room temperature. Phases I and III were isolated from particular solvent systems. Crystal data (II): triclinic system, space group P1, with a=13.028(l)Å, b=13.559(2)Å, c=13.969(3)Å, α=l 17.67(1)°, β=92.67(l)°, γ=91.43(l)°, V=2179.9Å3, Z=6 at 228K. The structure was solved by direct methods and refined to R(Fo)=0.045. Crystal data (III): triclinic system, space group P1, with a=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 to R(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). Phase III melts without being transformed to phase II or phase I. Phase II could not be isolated for calorimetric studies.

Original languageEnglish (US)
Pages (from-to)79-100
Number of pages22
JournalMolecular Crystals and Liquid Crystals Science and Technology Section A: Molecular Crystals and Liquid Crystals
Volume219
Issue number1
DOIs
StatePublished - Aug 1 1992

Fingerprint

Polymorphism
pentanes
Crystals
acids
Acids
crystals
thermograms
room temperature
triphenylacetic acid
Temperature
pentane

Keywords

  • Differential scanning calorimetry
  • Polymorphism
  • Triphenylacetic Acid
  • Triphenylchloromethane
  • X-ray structure determination

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Chemistry(all)

Cite this

@article{a6cbf27eab5e418d9f0f9d98cdd04b52,
title = "Structures for polymorphs of triphenylchloromethane. Triphenylacetic acid illustrates the isomorphous stable modification",
abstract = "Triphenylacetic acid is isomorphous with the published structure of triphenylchloromethane (I). It crystallizes in the trigonal system, space group P3, with a=b=14.105(3){\AA} c=13.121(2){\AA}, V=2261(1){\AA}3, Z=6 at 175K. The structure was solved by direct methods and refined to R(Fo)=0.062. We determined the structures for two triclinic polymorphs of triphenylchloromethane, II and III. The three forms were obtained from pentane evaporated at room temperature. Phases I and III were isolated from particular solvent systems. Crystal data (II): triclinic system, space group P1, with a=13.028(l){\AA}, b=13.559(2){\AA}, c=13.969(3){\AA}, α=l 17.67(1)°, β=92.67(l)°, γ=91.43(l)°, V=2179.9{\AA}3, Z=6 at 228K. The structure was solved by direct methods and refined to R(Fo)=0.045. Crystal data (III): triclinic system, space group P1, with a=14.1562(4){\AA}, b=21.3190(7){\AA}, c=13.0654(5){\AA}, α=99.92(3)°, β=92.68(3)°, γ=106.15(2)°, V=3712(2){\AA}3, Z=10 at 248K. The structure was solved by direct methods and refined to R(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). Phase III melts without being transformed to phase II or phase I. Phase II could not be isolated for calorimetric studies.",
keywords = "Differential scanning calorimetry, Polymorphism, Triphenylacetic Acid, Triphenylchloromethane, X-ray structure determination",
author = "Bart Kahr and Carter, {Randall L.}",
year = "1992",
month = "8",
day = "1",
doi = "10.1080/10587259208032120",
language = "English (US)",
volume = "219",
pages = "79--100",
journal = "Molecular Crystals and Liquid Crystals",
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TY - JOUR

T1 - Structures for polymorphs of triphenylchloromethane. Triphenylacetic acid illustrates the isomorphous stable modification

AU - Kahr, Bart

AU - Carter, Randall L.

PY - 1992/8/1

Y1 - 1992/8/1

N2 - Triphenylacetic acid is isomorphous with the published structure of triphenylchloromethane (I). It crystallizes in the trigonal system, space group P3, with a=b=14.105(3)Å c=13.121(2)Å, V=2261(1)Å3, Z=6 at 175K. The structure was solved by direct methods and refined to R(Fo)=0.062. We determined the structures for two triclinic polymorphs of triphenylchloromethane, II and III. The three forms were obtained from pentane evaporated at room temperature. Phases I and III were isolated from particular solvent systems. Crystal data (II): triclinic system, space group P1, with a=13.028(l)Å, b=13.559(2)Å, c=13.969(3)Å, α=l 17.67(1)°, β=92.67(l)°, γ=91.43(l)°, V=2179.9Å3, Z=6 at 228K. The structure was solved by direct methods and refined to R(Fo)=0.045. Crystal data (III): triclinic system, space group P1, with a=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 to R(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). Phase III melts without being transformed to phase II or phase I. Phase II could not be isolated for calorimetric studies.

AB - Triphenylacetic acid is isomorphous with the published structure of triphenylchloromethane (I). It crystallizes in the trigonal system, space group P3, with a=b=14.105(3)Å c=13.121(2)Å, V=2261(1)Å3, Z=6 at 175K. The structure was solved by direct methods and refined to R(Fo)=0.062. We determined the structures for two triclinic polymorphs of triphenylchloromethane, II and III. The three forms were obtained from pentane evaporated at room temperature. Phases I and III were isolated from particular solvent systems. Crystal data (II): triclinic system, space group P1, with a=13.028(l)Å, b=13.559(2)Å, c=13.969(3)Å, α=l 17.67(1)°, β=92.67(l)°, γ=91.43(l)°, V=2179.9Å3, Z=6 at 228K. The structure was solved by direct methods and refined to R(Fo)=0.045. Crystal data (III): triclinic system, space group P1, with a=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 to R(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). Phase III melts without being transformed to phase II or phase I. Phase II could not be isolated for calorimetric studies.

KW - Differential scanning calorimetry

KW - Polymorphism

KW - Triphenylacetic Acid

KW - Triphenylchloromethane

KW - X-ray structure determination

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