Information card for entry 2224719

Structure parameters

• Chemical name: <i>N</i>^2^,<i>N</i>^2^,<i>N</i>^5^,<i>N</i>^5^-Tetrakis(2-chloroethyl)-3,4- dimethylthiophene-2,5-dicarboxamide
• Formula: C16 H22 Cl4 N2 O2 S
• Calculated formula: C16 H22 Cl4 N2 O2 S
• SMILES: c1(c(c(c(C(=O)N(CCCl)CCCl)s1)C)C)C(=O)N(CCCl)CCCl
• Title of publication: <i>N</i>^2^,<i>N</i>^2^,<i>N</i>^5^,<i>N</i>^5^-Tetrakis(2-chloroethyl)-3,4-dimethylthiophene-2,5-dicarboxamide
• Authors of publication: Tang, Yi-Dan; Geng, Rong-Xia; Zhou, Cheng-He
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o100
• a: 7.9238 ± 0.0004 Å
• b: 21.1712 ± 0.0011 Å
• c: 12.6186 ± 0.0007 Å
• α: 90°
• β: 99.238 ± 0.001°
• γ: 90°
• Cell volume: 2089.39 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes