�ber den Einflu� der Anharmonizit�t auf die thermische R�ntgenstreuung an Kristallen

Hahn, H.

doi:10.1007/bf01377818

Cited by 11 publications

(9 citation statements)

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“…Also, we compared the structure of (I) with that of 2-benzyloxyphenyl isocyanide because of their structural similarities. The N C bond length for (I) is longer than that for 2-benzyloxyphenyl isocyanide [1.140 (2) Å ; Hahn & Lugger, 1997]. In (I), the length of the N-C bond adjacent to the isocyanide group is 1.3908 (19) Å .…”

Section: Figurementioning

confidence: 95%

Synthesis and crystal structure of 2-isocyano-4-methylphenyl diphenylacetate: a rare case of an easily accessible odourless isocyanide

2015

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Acidic hydrogen containing 2-isocyano-4-methylphenyl diphenylacetate, C22H17NO2, (I), was synthesized by the base-promoted reaction between 5-methylbenzoxazole and diphenylacetyl chloride. Achiral (I) crystallizes in the chiral P212121 space group. The C[triple-bond]N bond length is 1.164 (2) Å and the angle between the OCO and 2-isocyano-4-methylphenyl planes is 69.10 (16)°. Molecules are linked via C=O...H(phenyl) and bifurcated N[triple-bond]C...H(phenyl)/N[triple-bond]C...H(methine) hydrogen bonds, forming one-dimensional arrays.

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Section: Figurementioning

confidence: 95%

Synthesis and crystal structure of 2-isocyano-4-methylphenyl diphenylacetate: a rare case of an easily accessible odourless isocyanide

2015

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“…We suppose that (12a) is generally valid, since its simple form suggests that the only essential requirements are the periodicity of the average crystal and, classically, the occurrence of the Doppler effect. Calculations of TDS with anharmonic motions, but retaining the convolution approxi-* This part of the paper was initiated by a correspondence with Professor R. F. Stewart, Groningen. marion, were performed by Hahn & Ludwig (1961), Hahn (1961) and Ludwig (1967. In these papers, (12a) was not explicitly established, but it appears that anharmonieity changes the intensity distribution of TDS, but neither its loearion between the reciprocal lattice points nor its inelasrie nature.…”

Section: J(k)nrag S : I F(k)a V 12 ( 11 A)mentioning

confidence: 99%

X-ray Bragg scattering in the Born–Oppenheimer approximation

Scheringer¹

1979

Acta Cryst Sect A

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“…We suppose that (12a) is generally valid, since its simple form suggests that the only essential requirements are the periodicity of the average crystal and, classically, the occurrence of the Doppler effect. Calculations of TDS with anharmonic motions, but retaining the convolution approxi-* This part of the paper was initiated by a correspondence with Professor R. F. Stewart, Groningen. marion, were performed by Hahn & Ludwig (1961), Hahn (1961 and Ludwig (1967). In these papers, (12a) was not explicitly established, but it appears that anharmonieity changes the intensity distribution of TDS, but neither its loearion between the reciprocal lattice points nor its inelasrie nature.…”

Section: (5)mentioning

confidence: 99%