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Structural Characterization of Three Crystalline Modifications of Telmisartan by Single Crystal and High‐Resolution X‐ray Powder Diffraction

Title data

Dinnebier, Robert E. ; Sieger, Peter ; Nar, Herbert ; Shankland, Kenneth ; David, William I. F.:
Structural Characterization of Three Crystalline Modifications of Telmisartan by Single Crystal and High‐Resolution X‐ray Powder Diffraction.
In: Journal of Pharmaceutical Sciences. Vol. 89 (2000) Issue 11 . - 1465 - 1479.
ISSN 0022-3549
DOI: https://doi.org/10.1002/1520-6017(200011)89:11<1465::AID-JPS9>3.0.CO;2-C

Official URL: Volltext

Abstract in another language

Abstract Three crystalline modifications (A, B, and C) of 4′‐2‐n‐propyl‐4‐methyl‐6‐(1‐methyl‐benzimidazol‐2‐yl)benzi midazol‐1‐yl]methyl]biphenyl‐2‐carboxylic acid (INN name, telmisartan) have been detected and their crystal structures have been determined by single‐crystal X‐ray diffraction (pseudopolymorph C) and the method of simulated annealing from high‐resolution X‐ray powder diffraction data (polymorphs A and B). The compound is of interest because of its use as an angiotensin {II} receptor antagonist. Polymorph A crystallizes in space group P2I/c, Z = 4, with unit cell parameters a = 18.7798(3), b = 18.1043(2), and c = 8.00578(7) Å, β = 97.066(1)°, and V = 2701.31 Å3. Polymorph B crystallizes in space group P2I/a, Z = 4, with unit cell parameters a = 16.0646(5), b = 13.0909(3), and c = 13.3231(3) Å, β = 99.402(1)°, and V = 2764.2(1) Å3. The solvated form C crystallizes in space group C2/c, Z = 8, with unit cell parameters a = 30.990(5), b = 13.130(3), and c = 16.381(3) Å, β = 95.02(2)°, and V = 6639(2) Å3. For the structure solutions of polymorphs A and B, 13 degrees of freedom (3 translational, 3 orientational, 7 torsion angles) were determined in ∼2 h of computer time, demonstrating that the crystal packing and the molecular conformation of medium‐sized (MW ≈ 500) pharmaceutical compounds can now be solved quickly and routinely from high‐resolution X‐ray powder diffraction data. © 2000 Wiley‐Liss, Inc. and the American Pharmaceutical Association J Pharm Sci 89: 1465–1479, 2000

Further data

Item Type: Article in a journal
Refereed: Yes
Keywords: angiotensin {II} receptor antagonist
Institutions of the University: Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences > Chair Crystallography
Faculties
Faculties > Faculty of Mathematics, Physics und Computer Science
Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences
Result of work at the UBT: Yes
DDC Subjects: 500 Science > 530 Physics
Date Deposited: 23 Mar 2016 07:14
Last Modified: 23 Mar 2016 07:14
URI: https://eref.uni-bayreuth.de/id/eprint/32001