Information card for entry 7201674

Structure parameters

• Common name: 10,11-Dihydro-5H-dibenzo(a,d)cycloheptene-5-carboxamide
• Chemical name: 10,11-Dihydro-5H-dibenzo[a,d]cycloheptene-5-carboxamide
• Formula: C16 H15 N O
• Calculated formula: C16 H15 N O
• SMILES: O=C(N)C1c2ccccc2CCc2ccccc12
• Title of publication: A catemer-to-dimer structural transformation in cyheptamide
• Authors of publication: Florence, A. J.; Shankland, K.; Gelbrich, T.; Hursthouse, M. B.; Shankland, N.; Johnston, A.; Fernandes, P.; Leech, C. K.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 1
• Pages of publication: 26
• a: 5.6491 ± 0.0001 Å
• b: 19.5639 ± 0.0004 Å
• c: 22.0741 ± 0.0005 Å
• α: 84.2178 ± 0.0013°
• β: 88.4073 ± 0.0014°
• γ: 83.6001 ± 0.0013°
• Cell volume: 2411.72 ± 0.09 ų
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Goodness-of-fit parameter for all reflections: 2.05
• Method of determination: powder diffraction
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No