Information card for entry 8100351

Structure parameters

• Formula: C11 H11 N O3 S
• Calculated formula: C11 H11 N O3 S
• SMILES: s1c2c(n(CCCC(=O)O)c1=O)cccc2
• Title of publication: Crystal structure of 4-(2-oxobenzothiazolin-3-yl)butanoic acid, C~11~H~11~NO~3~S
• Authors of publication: Baysen, Fatma; Yaǧbasan, Rahmi; Kendi, Engin; Aslantaş, Mehmet; Çakir, B.; Önkol, T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2003
• Journal volume: 218
• Journal issue: 2
• Pages of publication: 175 - 176
• a: 7.2402 ± 0.0012 Å
• b: 7.4952 ± 0.0015 Å
• c: 10.4268 ± 0.0013 Å
• α: 83.893 ± 0.013°
• β: 85.737 ± 0.011°
• γ: 71.157 ± 0.014°
• Cell volume: 531.98 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No