Information card for entry 8101384

Structure parameters

• Common name: trans-2-Azido-indan-1-ol
• Formula: C9 H9 N3 O
• Calculated formula: C9 H9 N3 O
• SMILES: [C@@H]1([C@@H](Cc2ccccc12)N=N#N)O.[C@H]1([C@H](Cc2ccccc12)N=N#N)O
• Title of publication: Crystal structures of cis- and trans-2-azido-indan-1-ol, C~9~H~9~N~3~O
• Authors of publication: Steinwascher, Jörg; Lex, Johann; Griesbeck, Axel G.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 4
• Pages of publication: 627 - 629
• a: 12.763 ± 0.002 Å
• b: 4.774 ± 0.001 Å
• c: 29.048 ± 0.005 Å
• α: 90°
• β: 97.35 ± 0.02°
• γ: 90°
• Cell volume: 1755.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No