Structure determination of tolbutamide

Abstract

mm -1. The structure was solved by the Patterson search method (as it could not be solved by heavyatom techniques or direct methods) and refined to an R factor of 0.083 for 615 visually measured reflections. The structure is stabilized by hydrogen bonding between the polar groups and van der Waals interactions between the non-polar groups. Of the three hydrogen bonds, two are weak as they are bifurcated.

Conformational Polymorphism of Tolbutamide: A Structural, Spectroscopic, and Thermodynamic Characterization of Burger’s Forms I–IV

“…III) < 408C; 408C < T t (I H ! III) < 1068CForm IV: monotropic Nirmala and Gowda18 and Donaldson et al19 Orthorhombic,Pna2 1 , Z ¼ 4, a ¼ 20.23 Å , b ¼ 7.83 Å , c ¼ 9.09 ÅCrystal structure agrees with present work. Leary et al20 Forms A and B DSC and single-crystal XRD Forms (I L , I H ) and IIIForm B: monoclinic, P2 1 , Z ¼ 2, a ¼ 8.11 Å , b ¼ 8.96 Å , c ¼ 10.19 Å , b ¼ 1018Unit cell data does not match with any form.Rowe and Anderson 17 Forms I and IIIForm III is more stable than Form I below 758C (using solubility measurements)Forms (I L , I H ) and II Stability order and transition temperature agree with current work.…”

“…In Cambridge Structural Database (CSD), two crystal structures of TB, reference codes ZZZPUS01 18 and ZZZPUS02, 19 are indexed and both correspond to Form I. Form I crystallizes in the orthorhombic, Pna2 1 space group (Z ¼ 4; a ¼ 20.23 Å , b ¼ 7.83 Å , c ¼ 9.09 Å ).…”

Structural optimization and vibrational analysis of an antidiabetic drug: tolbutamide

“…Of the three hydrogen bonds, two are weak as they are bifurcated. [1] Initial atomic coordinates can be generally taken from any database or experimental X-ray diffraction (XRD) results. We have used experimental XRD data and Gauss View software database to determine initial atomic coordinates, and to optimize the input structure.…”

“…In this respect, tolbutamide is more effective than the second-generation agent glipizide. [1][2][3][4][5][6][7][8][9][10][11] Sulfonylureas and their derivatives are still effectively and widely used in chemotherapy against a broad range of microorganisms. Examples of first generation sulfonylureas are carbutamides.…”

Theoretical and experimental investigations on vibrational and structural properties of tolazamide

“…Tolazamide is an oral drug that lowers blood glucose in sulfonylurea class. The sulfonylurea derivatives are known to attract the attention on distinguishing biochemical and physical properties [1][2][3][4][5][6][7][8][9][10][11][12][13].…”