Abstract
In the pregnene fragment of the title compound, C27H38ClN, the three six-membered rings exhibit chair conformations and the five-membered ring has a distorted envelope form with the fused C atom not bearing a methyl group as the flap atom. The amino group is involved in the formation of an intramolecular N—H⋯Cl hydrogen bond. The crystal packing exhibits no short intermolecular contacts.
Highlights
Z=2 Mo K radiation = 0.19 mmÀ1 T = 113 K 0.26 Â 0.24 Â 0.18 mm 14303 measured reflections 5276 independent reflections 4089 reflections with I > 2(I) Rint = 0.038
H atoms treated by a mixture of independent and constrained refinement
The amino group is involved in the formation of an intramolecular N—HÁ Á ÁCl hydrogen bond
Summary
Absorption correction: multi-scan (CrystalClear; Rigaku/MSC, 2005) Tmin = 0.953, Tmax = 0.967. R[F 2 > 2(F 2)] = 0.029 wR(F 2) = 0.066 S = 0.97 5276 reflections 269 parameters 1 restraint. Ámax = 0.18 e A À3 Ámin = À0.25 e A À3 Absolute structure: Flack (1983), 2537 Friedel pairs Flack parameter: 0.02 (3). In the pregnene fragment of the title compound, C27H38ClN, the three six-membered rings exhibit chair conformations and the five-membered ring has a distorted envelope form with the fused C atom not bearing a methyl group as the flap atom. The amino group is involved in the formation of an intramolecular N—HÁ Á ÁCl hydrogen bond. The crystal packing exhibits no short intermolecular contacts
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