Information card for entry 2103222

Structure parameters

• Chemical name: 6-Methyl-4-(morpholinomethyl)-2H-1-benzothiopyran-2-one
• Formula: C15 H17 N O2 S
• Calculated formula: C15 H17 N O2 S
• SMILES: Cc1ccc2c(c1)C(CN1CCOCC1)=CC(S2)=O
• Title of publication: Some 60 new space-group corrections
• Authors of publication: Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 1
• Pages of publication: 62 - 77
• a: 11.336 Å
• b: 16.871 Å
• c: 7.287 Å
• α: 90°
• β: 80.748°
• γ: 90°
• Cell volume: 1375.51 ų
• 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No