Information card for entry 8101282

Structure parameters

• Formula: C14 H16 N2 O3 S
• Calculated formula: C14 H16 N2 O3 S
• SMILES: s1c2ccccc2n(c1=O)CCC(=O)N1CCOCC1
• Title of publication: Crystal structure of 1-[2(3H)-benzothiazolone-3-yl]propanoylmorpholine, C~14~H~16~N~2~O~3~S
• Authors of publication: İngeç,Σebnem Kandil; Aydın, Abdullah; Soylu, Hüseyin; Arıcı , Cengiz; Çakír, Bilge; Şahin, M. Fethi
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 3
• Pages of publication: 431 - 432
• a: 8.933 ± 0.001 Å
• b: 11.391 ± 0.001 Å
• c: 27.983 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2847.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P n a a
• Hall space group symbol: -P 2ac 2bc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No