Information card for entry 7121917

Structure parameters

• Chemical name: 4-chloro-N-(3-(piperidin-1-yl)propyl)quinoline-2-carboxamide
• Formula: C18 H22 Cl N3 O
• Calculated formula: C18 H22 Cl N3 O
• Title of publication: Development of subnanomolar-affinity serotonin 5-HT₄ receptor ligands based on quinoline structures.
• Authors of publication: Castriconi, Federica; Paolino, Marco; Grisci, Giorgio; Francini, Cinzia Maria; Reale, Annalisa; Giuliani, Germano; Anzini, Maurizio; Giorgi, Gianluca; Mennuni, Laura; Sabatini, Chiara; Lanza, Marco; Caselli, Gianfranco; Cappelli, Andrea
• Journal of publication: MedChemComm
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 9
• Pages of publication: 1466 - 1471
• a: 37.512 ± 0.005 Å
• b: 7.28 ± 0.005 Å
• c: 12.978 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3544 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.263
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0396
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 0.586
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No