Information card for entry 2205227
Chemical name
N,N'-Bis[(R)-2-hydroxy-2-phenylethyl]-N,N'-bis[(S)-1-phenylethyl]pyridine-2,6- dicarboxamide
Formula
C39 H39 N3 O4
Calculated formula
C39 H39 N3 O4
SMILES
n1c(cccc1C(=O)N([C@@H](C)c1ccccc1)C[C@H](O)c1ccccc1)C(=O)N([C@@H](C)c1ccccc1)C[C@H](O)c1ccccc1
Title of publication
<i>N,N</i>'-Bis[(<i>R</i>)-2-hydroxy-2-phenylethyl]-<i>N,N</i>'-bis[(<i>S</i>)-1-phenylethyl]pyridine-2,6-dicarboxamide: stabilization of an asymmetric conformer through the formation of a double intramolecular hydrogen bond
Authors of publication
Sosa-Rivadeneyra, Martha; Quintero, Leticia; Anaya de Parrodi, Cecilia; Juaristi, Eusebio; Bernès, Sylvain
Journal of publication
Acta Crystallographica Section E
Year of publication
2005
Journal volume
61
Journal issue
3
Pages of publication
o536 - o538
a
9.7976 ± 0.0009 Å
b
14.3385 ± 0.0013 Å
c
11.9807 ± 0.001 Å
α
90°
β
94.534 ± 0.004°
γ
90°
Cell volume
1677.8 ± 0.3 Å3
Cell temperature
299 ± 1 K
Ambient diffraction temperature
299 ± 1 K
Number of distinct elements
4
Space group number
4
Hermann-Mauguin space group symbol
P 1 21 1
Hall space group symbol
P 2yb
Residual factor for all reflections
0.0439
Residual factor for significantly intense reflections
0.0358
Weighted residual factors for significantly intense reflections
0.0914
Weighted residual factors for all reflections included in the refinement
0.0967
Goodness-of-fit parameter for all reflections included in the refinement
1.023
Diffraction radiation wavelength
0.71073 Å
Diffraction radiation type
MoKα
Has coordinates
Yes
Has disorder
No
Has Fobs
Yes
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https://www.crystallography.net/2205227.html