Information card for entry 7220169

Structure parameters

• Common name: LASSBio-1601
• Chemical name: (E)-N'-benzylidenecyclohexanecarbohydrazide
• Mineral name: NAH1601
• Formula: C14 H18 N2 O
• Calculated formula: C14 H18 N2 O
• Title of publication: Structural features evolution ‒ from fluids to solid phase ‒ and crystal morphology study of LASSBio 1601: a cyclohexyl-N-acylhydrazone derivative
• Authors of publication: Costa, Fanny Nascimento; da Silva, Tiago Fernandes; Miguez, Eduardo; Barroso, Regina Cely; Braz, Delson; Barreiro, Eliezer J.; Lima, Lídia Moreira; Punzo, Francesco; Ferreira, Fabio Furlan
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 4.7774 ± 0.0003 Å
• b: 10.8468 ± 0.0006 Å
• c: 15.7986 ± 0.0011 Å
• α: 52.351 ± 0.005°
• β: 99.385 ± 0.005°
• γ: 99.707 ± 0.003°
• Cell volume: 637.02 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 K
• Ambient diffracton pressure: 100 kPa
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor R(I) for significantly intense reflections: 0.00666
• Goodness-of-fit parameter for all reflections: 0.832
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No