Crystal structure of olanzapinium benzoate (1:1) |
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Authors: | B Sridhar K Ravikumar |
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Institution: | (1) Laboratopy of X-ray Crystallography, Indian Institute of Chemical Technology, Hyderabad, 500007, India |
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Abstract: | Olanzapinium benzoate, 1-methyl-4-(2-methyl-10H-thieno2,3-b]1,5]benzodiazepin-4-yl)-piperazin-1-ium benzoate, (C17H21N4S)+(C7H5O2)? (I), crystallizes in triclinic space group P-1 with unit cell dimensions a = 9.2957(6) Å, b = 11.2416(7) Å, c = 12.0003(8) Å; α = 64.585(1)°, β = 87.568(1)°, γ = 83.248(1)°; V = 1124.8(1) Å3. The asymmetric part of the structure comprises a singly charged olanzapinium cation and a singly charged benzoate anion. The central 1,5-diazepine ring adopts the expected boat conformation, while the piperazine ring favors the chair conformation. The olanzapinium and benzoate ions are linked by intermolecular N-H...O hydrogen bonds forming infinite chains running along the c-axis of the crystal. |
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Keywords: | ZYPREXA atypical agents piperazine protonation intermolecular hydrogen bond |
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