Information card for entry 7243056

Structure parameters

• Common name: MQZ-GLC_anhydrate_25deg
• Chemical name: MQZ-GLC_anhydrate
• Formula: C22 H26 N2 O3 S
• Calculated formula: C22 H26 N2 O3 S
• Title of publication: Hydrogen bonding from crystalline water mediates the hydration/dehydration of mequitazine glycolate
• Authors of publication: Okura, Ryuhei; Uchiyama, Hiromasa; Kadota, Kazunori; Tozuka, Yuichi
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 27
• Pages of publication: 4816 - 4824
• a: 12.8677 ± 0.0014 Å
• b: 9.6306 ± 0.001 Å
• c: 16.3003 ± 0.0016 Å
• α: 90°
• β: 92.7196 ± 0.0008°
• γ: 90°
• Cell volume: 2017.7 ± 0.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• 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: 2.6437
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No