Information card for entry 2210778

Structure parameters

• Common name: Carbendazim Besylate
• Chemical name: 2-(methoxycarbonylamino)benzimidazol-1-ium benzenesulfonate
• Formula: C15 H15 N3 O5 S
• Calculated formula: C15 H15 N3 O5 S
• SMILES: S(=O)(=O)([O-])c1ccccc1.O(C)C(=O)Nc1[nH]c2ccccc2[nH+]1
• Title of publication: The besylate salt of carbendazim: 2-(methoxycarbonylamino)benzimidazolium benzenesulfonate
• Authors of publication: Sepassi, Kia; Sanghvi, Tapan; Yalkowsky, Samuel H.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4403 - o4404
• a: 9.0068 ± 0.0005 Å
• b: 9.3944 ± 0.0005 Å
• c: 9.6643 ± 0.0006 Å
• α: 87.9448 ± 0.0012°
• β: 75.7679 ± 0.0012°
• γ: 74.9244 ± 0.0012°
• Cell volume: 765.01 ± 0.08 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes