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Conformational pseudo-polymorphism and hydrogen bonding: benzthiazide anhydrate and monohydrate, an antihypertensive drug

  1. Author:
    Prabakaran, P.
    Umadevi, B.
    Panneerselvam, P.
    Muthiah, P. T.
    Bocelli, G.
    Righi, L.

  2. Author Address

    NCI, Lab Expt & Computat Biol, Frederick, MD 21702 USA Bharathidasan Univ, Dept Chem, Tiruchchirappalli 620024, India CNR, IMEM, I-43100 Parma, Italy Muthiah PT NCI, Lab Expt & Computat Biol, Frederick, MD 21702 USA
    1. Year: 2003
  2. Journal: Crystengcomm
    1. 5
    2. Pages: 487-489
  4. Type of Article: Article
  1. Abstract:

    Crystal structures of benzthiazide [6-chloro-3-[[(phenylmethyl) thio] ethyl]4H-1,2,4-benzthiadiazine-7-sulfonamide-1,1, dioxide] in its anhydrate and monohydrate forms reveal, respectively, a J-like folded as well as extended type conformations that have critical torsional flexibility along the C-C-S-C bonds and novel H-bonded sulfonamide motifs.

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