Information card for entry 7218557

Structure parameters

• Common name: LASSBio-1289
• Chemical name: (E)-N-methyl-N'-(thiophen-3-ylm-ethylene)benzo[d][1,3]dioxole-5-carbohydrazide
• Formula: C14 H12 N2 O3 S
• Calculated formula: C14 H12 N2 O3 S
• Title of publication: Structural characterization of LASSBio-1289: a new vasoactive N-methyl-N-acylhydrazone derivative
• Authors of publication: Sato, Juliana Alves Pereira; Costa, Fanny Nascimento; da Rocha, Miguel Divino; Barreiro, Eliezer J.; Fraga, Carlos Alberto Manssour; Punzo, Francesco; Ferreira, Fabio Furlan
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 1
• Pages of publication: 165
• a: 14.5118 ± 0.0003 Å
• b: 12.1374 ± 0.0002 Å
• c: 7.54977 ± 0.00011 Å
• α: 90°
• β: 91.1131 ± 0.001°
• γ: 90°
• Cell volume: 1329.53 ± 0.04 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 K
• Ambient diffracton pressure: 100 kPa
• 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
• Residual factor R(I) for significantly intense reflections: 0.0062
• Goodness-of-fit parameter for all reflections: 1.161
• 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