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  • Chemistry/Pharmacy  (6)
  • VA 2870  (6)
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  • Chemistry/Pharmacy  (6)
RVK
  • VA 2870  (6)
  • 1
    Online Resource
    Online Resource
    Canadian Science Publishing ; 1975
    In:  Canadian Journal of Chemistry Vol. 53, No. 14 ( 1975-07-15), p. 2121-2126
    In: Canadian Journal of Chemistry, Canadian Science Publishing, Vol. 53, No. 14 ( 1975-07-15), p. 2121-2126
    Abstract: The crystal structure of 2-(4′-carbomethoxy-2′-nitrobenzyl)-1,3,5-trimethylbenzene, C 18 H I9 -N0 4 , has been determined by X-ray diffraction. The crystals are triclinic, a = 9.534(5), b = 11.887(7), c = 7.431(6) Å, α = 101.62(3), β = 97.25(3), γ = 88.61(3)°, [Formula: see text] with Z = 2. The integrated intensities of 3789 independent reflections were measured on a four circle diffractometer; 2448 reflections were used in a full-matrix refinement to a least-squares residual of 0.067 and a conventional R factor of 0.055.The molecule is in the skew-nitro-distal conformation. The angle between the di-ortho-substituted ring and the central C—CH 2 —C plane is 87.6° and the angle between the nitro-substituted ring and the C—CH 2 —C plane is 2.2°.
    Type of Medium: Online Resource
    ISSN: 0008-4042 , 1480-3291
    RVK:
    Language: English
    Publisher: Canadian Science Publishing
    Publication Date: 1975
    detail.hit.zdb_id: 1482256-8
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  • 2
    Online Resource
    Online Resource
    Canadian Science Publishing ; 1975
    In:  Canadian Journal of Chemistry Vol. 53, No. 14 ( 1975-07-15), p. 2102-2107
    In: Canadian Journal of Chemistry, Canadian Science Publishing, Vol. 53, No. 14 ( 1975-07-15), p. 2102-2107
    Abstract: The structure of 2-(4′-carbomethoxy-2′-nitrothiophenyl)-1,3,5-trimethylbenzene, C 17 H 17 -NO 4 S, has been determined by X-ray diffraction. The crystals are monoclinic, a = 18.616(15), b = 5.739(8), c = 15.712(14) Å, β = 101.97(3)°, P2 1 /c with Z = 4. The intensities of 3820 independent reflections were measured on a four circle diffractometer; 2825 reflections were used in the refinement of the structure to give a final least-squares weighted residual of 0.059 and a traditional R factor of 0.054. The presence of electron-withdrawing groups on one of the phenyl rings increases the conjugation between the ring and the sulfur atom in a similar manner as that observed in diphenyl ethers. The mesityl ring is nearly orthogonal to the C—S—C plane.
    Type of Medium: Online Resource
    ISSN: 0008-4042 , 1480-3291
    RVK:
    Language: English
    Publisher: Canadian Science Publishing
    Publication Date: 1975
    detail.hit.zdb_id: 1482256-8
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  • 3
    Online Resource
    Online Resource
    Canadian Science Publishing ; 1975
    In:  Canadian Journal of Chemistry Vol. 53, No. 14 ( 1975-07-15), p. 2115-2120
    In: Canadian Journal of Chemistry, Canadian Science Publishing, Vol. 53, No. 14 ( 1975-07-15), p. 2115-2120
    Abstract: The crystal structure of 2-(4′-carbomethoxy-2′-nitrophenylsulfonyl)-1,3,5-trimethylbenzene, C 17 H 17 NO 6 S, has been determined by X-ray diffraction. The crystals are triclinic, a = 12.907(13), b = 7.577(5), c = 9.1808(9) Å, α = 105.82(3), β = 112.81(5), γ = 93.97(4)°, [Formula: see text] with Z = 2. The integrated intensities of 3792 independent reflections were measured on a four circle diffractometer and 2985 reflections were used in the refinement to give a least-squares residual of 0.046 and a conventional R factor of 0.057.The molecule shows a twist-nitro-proximal conformation. However, the dihedral angles made by the mesityl ring and the nitro-substituted ring with the central C—S—C plane are dissimilar in contrast to the nearly equal angles found for the similarly substituted sulfinyl compound.
    Type of Medium: Online Resource
    ISSN: 0008-4042 , 1480-3291
    RVK:
    Language: English
    Publisher: Canadian Science Publishing
    Publication Date: 1975
    detail.hit.zdb_id: 1482256-8
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  • 4
    Online Resource
    Online Resource
    Canadian Science Publishing ; 1975
    In:  Canadian Journal of Chemistry Vol. 53, No. 14 ( 1975-07-15), p. 2084-2092
    In: Canadian Journal of Chemistry, Canadian Science Publishing, Vol. 53, No. 14 ( 1975-07-15), p. 2084-2092
    Abstract: The structure of 2-(4′-carbomethoxy-2′-nitrophenoxy)-1,3,5-trimethylbenzene, C 17 H 17 NO 5 , has been determined by X-ray diffraction. The crystals are monoclinic, a = 8.352(4), b = 17.892(10), c = 10.966(6) Å, β = 100.59(3) °, P2 1 /c with Z = 4. The intensities of 3877 independent reflections were measured on a four circle diffractometer; 2272 of these reflections were used to obtain a final least-squares residual of 0.053 and traditional R factor of 0.054. The general conformation is similar to that found earlier for differently substituted diphenyl ethers. Comparison of this structure with those previously determined indicates that distortions in ring angles are primarily a result of electronic rather than steric effects.
    Type of Medium: Online Resource
    ISSN: 0008-4042 , 1480-3291
    RVK:
    Language: English
    Publisher: Canadian Science Publishing
    Publication Date: 1975
    detail.hit.zdb_id: 1482256-8
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  • 5
    Online Resource
    Online Resource
    Canadian Science Publishing ; 1975
    In:  Canadian Journal of Chemistry Vol. 53, No. 14 ( 1975-07-15), p. 2108-2114
    In: Canadian Journal of Chemistry, Canadian Science Publishing, Vol. 53, No. 14 ( 1975-07-15), p. 2108-2114
    Abstract: The crystal structure of 2′-(4′-carbomethoxy-2′-nitrophenylsulfinyl)-1,3,5-trimethylbenzene, C 17 H 17 NO 5 S, has been determined by X-ray diffraction. The crystals are triclinic, a = 9.848(11), b = 7.654(10), c = 12.513(15) Å, α = 107.33(8), β = 100.73(8), γ = 106.53(8)°, [Formula: see text] with Z = 2. The intensities of 3850 independent reflections were measured on a four circle diffractometer; 2985 reflections were used in the refinement to give a final least-squares residual of 0.053 and a traditional R factor of 0.052.Repulsion between the sulfoxide oxygen atom and the nitro oxygen atoms forces the molecule into the twist-nitro-proximal conformation as opposed to the nitro-distal conformation which has been observed for other bridged diphenyls in this series.
    Type of Medium: Online Resource
    ISSN: 0008-4042 , 1480-3291
    RVK:
    Language: English
    Publisher: Canadian Science Publishing
    Publication Date: 1975
    detail.hit.zdb_id: 1482256-8
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  • 6
    Online Resource
    Online Resource
    Canadian Science Publishing ; 1975
    In:  Canadian Journal of Chemistry Vol. 53, No. 14 ( 1975-07-15), p. 2127-2132
    In: Canadian Journal of Chemistry, Canadian Science Publishing, Vol. 53, No. 14 ( 1975-07-15), p. 2127-2132
    Abstract: The structure of 2-(4′-carbomethoxy-2′-nitrobenzoyl)-1,3,5-trimethylbenzene, C 18 H 17 N0 5 , has been determined by X-ray diffraction. The crystals are triclinic, a = 10.266(5), b = 7.672(5), c = 11.975(8) Å, α = 105.11(3), β = 100.08(3), γ = 111.50(3)°, [Formula: see text] with Z = 2. The integrated intensities of 3732 independent reflections were measured on a four circle diffractometer; 2784 of these reflections were used in the refinement to give a final least-squares weighted residual of 0.046 and a conventional R factor of 0.053.The molecule adopts the twist-nitro-proximal conformation similar to the conformation in the corresponding sulfoxide and sulfone. The angle subtended at the bridging carbon atom is 118.5(2)° and its bond lengths to phenyl carbon atoms are 1.502(2) and 1.503(2) Å.
    Type of Medium: Online Resource
    ISSN: 0008-4042 , 1480-3291
    RVK:
    Language: English
    Publisher: Canadian Science Publishing
    Publication Date: 1975
    detail.hit.zdb_id: 1482256-8
    Location Call Number Limitation Availability
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