Information card for entry 2000547

Structure parameters

• Formula: C18 H18 Cl N3 S
• Calculated formula: C18 H18 Cl N3 S
• SMILES: CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Sc2c1cccc2
• Title of publication: Structure du 8-chloro-11-(4-méthylpipérazin-1-yl)dibenzo[<i>b</i>,<i>f</i>]-1,4-thiazépine
• Authors of publication: Dupont, L.; Dideberg, O.; Liégeois, J. F.; Delarge, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 10
• Pages of publication: 1851 - 1853
• a: 9.521 ± 0.003 Å
• b: 13.007 ± 0.004 Å
• c: 14.116 ± 0.006 Å
• α: 90°
• β: 100.77 ± 0.01°
• γ: 90°
• Cell volume: 1717.3 ± 1.1 ų
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No