Information card for entry 2015339

Structure parameters

• Common name: 3-methyl-2-benzothiazolinone azine
• Chemical name: (1Z,2Z)-1,2-Bis(3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)hydrazine
• Formula: C16 H14 N4 S2
• Calculated formula: C16 H14 N4 S2
• SMILES: S1/C(=N\N=C2/Sc3ccccc3N2C)N(c2c1cccc2)C
• Title of publication: (1<i>Z</i>,2<i>Z</i>)-1,2-Bis(3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)hydrazine
• Authors of publication: Nakano, Taku; Kakuda, Hiroko; Mori, Yoshihiro; Shiro, Motoo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o331 - o332
• a: 16.0038 ± 0.0017 Å
• b: 5.8679 ± 0.0007 Å
• c: 15.9529 ± 0.0018 Å
• α: 90°
• β: 104.235 ± 0.008°
• γ: 90°
• Cell volume: 1452.1 ± 0.3 ų
• Cell temperature: 93 ± 1 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes