Information card for entry 2300100

Structure parameters

• Common name: meta-toluidine
• Formula: C7 H9 N
• Calculated formula: C7 H9 N
• SMILES: c1(cc(ccc1)N)C
• Title of publication: Ab initio structure determination of meta-toluidine by powder X-ray diffraction
• Authors of publication: Lefebvre, Jacques; Descamps, Marc; Hemon, Stephanie; Dzyabchenko, Alexander
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2004
• Journal volume: 37
• Pages of publication: 464 - 471
• a: 24.8727 ± 0.0006 Å
• b: 5.80729 ± 0.00017 Å
• c: 8.7615 ± 0.0003 Å
• α: 90°
• β: 100.062 ± 0.0017°
• γ: 90°
• Cell volume: 1246.07 ± 0.07 ų
• Cell temperature: 150 ± 0.5 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 3
• 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