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Crystal structure of trans-4-propyl cyclohexyl-4(trans-4-ethyl cyclohexyl) benzoate

Published/Copyright: August 25, 2010
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Zeitschrift für Kristallographie - Crystalline Materials
From the journal Zeitschrift für Kristallographie - Crystalline Materials Volume 177 Issue 3-4

Abstract

This compound crystallises in the triclinic space group P[unk] with a = 8.339(2), b = 11.201(2), c = 12.172(4) Å, α = 105.73(2), β = 97.77(3), γ = 92.10(2)° and two molecules per unit cell, Dcalc = 1.235 g cm−3. The structure was solved by direct method (MULTAN 80) using 1870 observed reflections [I > 2 σ(I)]. It was refined by block-diagonal least-squares method to a final R = 0.059. The molecule is almost linear. The central phenyl ring makes angles of 83.325° and 50.922° with the mean planes of the two cyclohexane rings. The mean planes of the two cyclohexane rings make an angle of 45.8°. The pairs of molecules related by a centre of symmetry form an imbricated arrangement in the crystalline state.

Published Online: 2010-8-25
Published in Print: 1986-2-1

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Articles in the same Issue

  1. The thermal expansion of Na2CO3
  2. Crystal structure of a beryllium-potassium polyphosphate: BeK(PO3)3
  3. 4-Amino-2-bromo-6-methyl-5,6,7,8-tetrahydropyrido[2,3-d]-pyrimidine
  4. An X-ray analysis of anomalous dispersion effects, anharmonicity and thermal vibrations in gallium phosphide
  5. An empirical model of optical susceptibilities of crystals I. Refractivity in alkali halides
  6. An empirical model of optical susceptibilities of crystals II. Elasto-optical effect in alkali halides
  7. Refinements of Ag3AsSe3 based on high-order thermal-motion tensors
  8. Crystal and molecular structure of α-naphthil
  9. The crystal and molecular structure of endo,endo-2,6-diphenacyl[4]peristylane
  10. Ancient oriental pattern and related zeolite type networks
  11. The crystal structure of saleeite, Mg[UO2PO4]2 · 10H2O
  12. Calculation of the electron diffraction intensities using the multi-slice method
  13. The triethanolamine complexes of calcium azide and strontium azide
  14. Crystal structure of trans-4-propyl cyclohexyl-4(trans-4-ethyl cyclohexyl) benzoate
  15. The crystal structure of β-NbPO5
  16. Structure of 2,7-dihydro-3,5,8-trimethylazuleno (6-5-b) furan-2,7-dione
  17. Die isotypen Phasen HEF6 · 5H2O · HF (E = P, As, Sb): Neubestimmung der Strukturen an Einkristallen1
  18. Crystal structure of a mixed crystal containing 3-benzoyl-2-phenyl-furo[2,3-b]quinoxaline and 3-benzoyl-2-phenyl-thieno[2,3-b]quinoxaline
  19. Splitpositionen für Alkalimetallkationen in den Thioindaten MIn5S8 (M = K, Rb, Cs)?
  20. Crystal structure of E-2-styrylquinoline(STQ), C17H13N
  21. 10.1515/zkri.1986.177.3-4.155
  22. 10.1515/zkri.1986.177.3-4.165
  23. 10.1515/zkri.1986.177.3-4.171
  24. 10.1515/zkri.1986.177.3-4.177
  25. 10.1515/zkri.1986.177.3-4.185
  26. 10.1515/zkri.1986.177.3-4.201
  27. 10.1515/zkri.1986.177.3-4.211
  28. 10.1515/zkri.1986.177.3-4.219
  29. 10.1515/zkri.1986.177.3-4.229
  30. 10.1515/zkri.1986.177.3-4.237
  31. 10.1515/zkri.1986.177.3-4.247
  32. 10.1515/zkri.1986.177.3-4.255
  33. 10.1515/zkri.1986.177.3-4.263
  34. 10.1515/zkri.1986.177.3-4.271
  35. 10.1515/zkri.1986.177.3-4.277
  36. 10.1515/zkri.1986.177.3-4.287
  37. 10.1515/zkri.1986.177.3-4.291
  38. 10.1515/zkri.1986.177.3-4.301
  39. 10.1515/zkri.1986.177.3-4.307
  40. 10.1515/zkri.1986.177.3-4.315
https://doi.org/10.1524/zkri.1986.177.3-4.271

Articles in the same Issue

  1. The thermal expansion of Na2CO3
  2. Crystal structure of a beryllium-potassium polyphosphate: BeK(PO3)3
  3. 4-Amino-2-bromo-6-methyl-5,6,7,8-tetrahydropyrido[2,3-d]-pyrimidine
  4. An X-ray analysis of anomalous dispersion effects, anharmonicity and thermal vibrations in gallium phosphide
  5. An empirical model of optical susceptibilities of crystals I. Refractivity in alkali halides
  6. An empirical model of optical susceptibilities of crystals II. Elasto-optical effect in alkali halides
  7. Refinements of Ag3AsSe3 based on high-order thermal-motion tensors
  8. Crystal and molecular structure of α-naphthil
  9. The crystal and molecular structure of endo,endo-2,6-diphenacyl[4]peristylane
  10. Ancient oriental pattern and related zeolite type networks
  11. The crystal structure of saleeite, Mg[UO2PO4]2 · 10H2O
  12. Calculation of the electron diffraction intensities using the multi-slice method
  13. The triethanolamine complexes of calcium azide and strontium azide
  14. Crystal structure of trans-4-propyl cyclohexyl-4(trans-4-ethyl cyclohexyl) benzoate
  15. The crystal structure of β-NbPO5
  16. Structure of 2,7-dihydro-3,5,8-trimethylazuleno (6-5-b) furan-2,7-dione
  17. Die isotypen Phasen HEF6 · 5H2O · HF (E = P, As, Sb): Neubestimmung der Strukturen an Einkristallen1
  18. Crystal structure of a mixed crystal containing 3-benzoyl-2-phenyl-furo[2,3-b]quinoxaline and 3-benzoyl-2-phenyl-thieno[2,3-b]quinoxaline
  19. Splitpositionen für Alkalimetallkationen in den Thioindaten MIn5S8 (M = K, Rb, Cs)?
  20. Crystal structure of E-2-styrylquinoline(STQ), C17H13N
  21. 10.1515/zkri.1986.177.3-4.155
  22. 10.1515/zkri.1986.177.3-4.165
  23. 10.1515/zkri.1986.177.3-4.171
  24. 10.1515/zkri.1986.177.3-4.177
  25. 10.1515/zkri.1986.177.3-4.185
  26. 10.1515/zkri.1986.177.3-4.201
  27. 10.1515/zkri.1986.177.3-4.211
  28. 10.1515/zkri.1986.177.3-4.219
  29. 10.1515/zkri.1986.177.3-4.229
  30. 10.1515/zkri.1986.177.3-4.237
  31. 10.1515/zkri.1986.177.3-4.247
  32. 10.1515/zkri.1986.177.3-4.255
  33. 10.1515/zkri.1986.177.3-4.263
  34. 10.1515/zkri.1986.177.3-4.271
  35. 10.1515/zkri.1986.177.3-4.277
  36. 10.1515/zkri.1986.177.3-4.287
  37. 10.1515/zkri.1986.177.3-4.291
  38. 10.1515/zkri.1986.177.3-4.301
  39. 10.1515/zkri.1986.177.3-4.307
  40. 10.1515/zkri.1986.177.3-4.315
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