In situ crystallization of the linear alkynes CnH2n–2 (n = 7, 8, 9, 10)
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In situ crystallization of the linear alkynes CnH2n–2 (n = 7, 8, 9, 10). / Bond, Andrew; Davies, John E.
In: Zeitschrift für Kristallographie - Crystalline Materials, Vol. 229, No. 9, 2014, p. 661-666.Research output: Contribution to journal › Journal article › Research › peer-review
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TY - JOUR
T1 - In situ crystallization of the linear alkynes CnH2n–2 (n = 7, 8, 9, 10)
AU - Bond, Andrew
AU - Davies, John E
PY - 2014
Y1 - 2014
N2 - A manual in situ crystallization technique is described, for application on a κ-geometry area-detector instrument. The technique has been applied to grow crystals of some linear alkynes: 1-heptyne, 1-octyne, 1-nonyne and 1-decyne, Cn H2n–2 (n=7, 8, 9, 10). The structures with odd n (1-heptyne and 1-nonyne) crystallize in space group Pca21. The structures with even n (1-octyne and 1-decyne) crystallize in space group P21/c, with two molecules in the asymmetric unit (Z′=2) and an approximately orthorhombic metric. All of the structures contain layers of molecules with a square unit mesh of dimensions 5.7×7.2 Å, identical to the layers present in the previously published structures of 1,7-octadiyne and 1,9-decadiyne. The structures differ where the methyl groups meet, giving systematically greater packing efficiency for 1-heptyne and 1-nonyne, compared to 1-octyne and 1-decyne. This systematic alternation in crystal density is correlated with an alternation in melting points.
AB - A manual in situ crystallization technique is described, for application on a κ-geometry area-detector instrument. The technique has been applied to grow crystals of some linear alkynes: 1-heptyne, 1-octyne, 1-nonyne and 1-decyne, Cn H2n–2 (n=7, 8, 9, 10). The structures with odd n (1-heptyne and 1-nonyne) crystallize in space group Pca21. The structures with even n (1-octyne and 1-decyne) crystallize in space group P21/c, with two molecules in the asymmetric unit (Z′=2) and an approximately orthorhombic metric. All of the structures contain layers of molecules with a square unit mesh of dimensions 5.7×7.2 Å, identical to the layers present in the previously published structures of 1,7-octadiyne and 1,9-decadiyne. The structures differ where the methyl groups meet, giving systematically greater packing efficiency for 1-heptyne and 1-nonyne, compared to 1-octyne and 1-decyne. This systematic alternation in crystal density is correlated with an alternation in melting points.
U2 - 10.1515/zkri-2014-1731
DO - 10.1515/zkri-2014-1731
M3 - Journal article
VL - 229
SP - 661
EP - 666
JO - Zeitschfrift fur Kristallographie
JF - Zeitschfrift fur Kristallographie
SN - 2194-4946
IS - 9
ER -
ID: 123468247