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Volumn 26, Issue 11, 1987, Pages 1175-1177

Observation of an Eclipsed C sp3‐CH3 Bond in a Tricyclic Orthoamide; Experimental and Theoretical Evidence for CH ⃛O Hydrogen Bonds

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EID: 84985524357     PISSN: 05700833     EISSN: 15213773     Source Type: Journal    
DOI: 10.1002/anie.198711751     Document Type: Article
Times cited : (88)

References (19)
  • 3
    • 84985533857 scopus 로고    scopus 로고
    • Kα radiation (λ = 0.7107 Å), intensity measurements out to θ = 40°, R = 0.0032 [14].
  • 4
    • 84985526356 scopus 로고    scopus 로고
    • Similar chair‐like rings are known to occur, e.g. in ice II [5] and The crystalline trihydrate of l,3,5‐triaza‐2,4,6‐trimethylcyclohexane [6].
  • 11
    • 84985519090 scopus 로고    scopus 로고
    • 3, intensity measurements as for the trihydrate, R = 0.034 [14].
  • 13
    • 84985528026 scopus 로고    scopus 로고
    • −3) close to the positions expected for H atoms in the alternative eclipsed methyl conformation of the all‐ trans molecule. These could arise from the inad‐equacy of the isotropic temperature factor formalism used for the H atoms in the least‐squares refinements.
  • 14
    • 33748629027 scopus 로고
    • Several ab initio calculations of the methane‐water system agree that CH … O hydrogen bonding is significant but disagree about details. See for example
    • (1974) J. Amer. Chem. Soc. , vol.96 , pp. 7898
    • Ungemach, S.R.1    Schaefer, H.F.2
  • 18
    • 84985526354 scopus 로고    scopus 로고
    • 3] strengthens the interaction by an approximately compensating amount.
  • 19
    • 84985533853 scopus 로고    scopus 로고
    • Further details of the crystal structure investigations are available on request from the Fachinformationszentrum Energie, Physik, Mathematik GmbH, D‐7514 Eggenstein‐Leopoldshafen 2 (FRG), on quoting the depository number CSD‐52 487, the names of the authors, and the journal citation.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.