Information card for entry 2018245

Structure parameters

• Chemical name: (2<i>RS</i>,3<i>RS</i>)-5-amino-3-(4-phenylpiperazin-1-yl)-1,2,3,4- tetrahydronaphthalen-2-ol
• Formula: C20 H25 N3 O
• Calculated formula: C20 H25 N3 O
• SMILES: c1ccccc1N1CCN(CC1)[C@@H]1[C@H](Cc2c(C1)c(ccc2)N)O.c1ccccc1N1CCN(CC1)[C@H]1[C@@H](Cc2c(C1)c(ccc2)N)O
• Title of publication: Powder X-ray study of racemic (2<i>RS</i>,3<i>RS</i>)-5-amino-3-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
• Authors of publication: Assaad, Thaer; Rukiah, Mwaffak
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o378 - o381
• a: 11.4132 ± 0.0004 Å
• b: 8.8555 ± 0.0003 Å
• c: 17.1797 ± 0.0004 Å
• α: 90°
• β: 90.5787 ± 0.0017°
• γ: 90°
• Cell volume: 1736.26 ± 0.09 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Goodness-of-fit parameter for all reflections: 1.37
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No