The structure of celiprolol.
The crystal structure and nuclear magnetic resonance (NMR) spectra and assignments of celiprolol, N'-[3-acetyl-4[3-[N-t-butylamino-2-hydroxypropoxy]phenyl]-N,N- diethylurea, are reported. Celiprolol crystallizes in the monoclinic space group, P2(1)/a, with a = 9.081(2), b = 13.800(4), and c = 17.471(5) A and beta = 95.04(2)degrees. Structure was solved by direct methods; structure refinement to R of 0.058. Intermolecular hydrogen-bonding in the crystal is discussed. The 1H, 13C, and two-dimensional (2D) NMR spectra of the hydrochloride have been obtained and definitive signal assignments made.
Kumar
N
N
Analytical and Physical Chemistry Department, Rhône-Poulenc Rorer Central Research, King of Prussia, Pennsylvania 19406.
Strohbeck
C
C
Ammon
H L
HL
D000319:Adrenergic beta-Antagonists / Q000737:chemistry*; D017272:Celiprolol; D003460:Crystallization; D009682:Magnetic Resonance Spectroscopy; D011412:Propanolamines / Q000737:chemistry*
D000319:Adrenergic beta-Antagonists; D011412:Propanolamines; D017272:Celiprolol