Helvetica Chimica Acta · 1961 · 40 citations · 4 references
Natural SciencesChemistryCrystal StructureOrganic ChemistryPhysical ChemistryCrystal ChemistryCrystallographyMolecular SymmetryStructure DeterminationStructure PredictionX-ray CrystallographyCrystal Structure AnalysisCrystal Structure PredictionCrystal Structure RefinementCrystal Symmetry DeterminationCrystallographic Symmetry AnalysisMacromolecular Structure CharacterizationSubstituent Effects On Ring ConformationTetrahedral Coordination
Crystals of 1,6‐ cis ‐diaminocyclodecane dihydrochloride dihydrate are monoclinic, a = 8,145, b = 22,933, c = 9,393 A; β = 118° 20′; Z = 4; space group P2 1 /c. The crystal structure has been determined by analysis of the three‐dimensional P ATTERSON function and refined by F OURIER and least squares methods using isotropic temperature factors. The conformation of the ring is the same as that observed for the trans ‐compound and the substituents occur on carbon atoms of type II, as predicted. The observed CCC angles are all larger than the tetrahedral angle, and range from about 113° to 120°.
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