Information card for entry 2312399

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>,<i>N</i>-Diethyl-4-{[(4-methoxyphenyl)imino]methyl}aniline
• Formula: C18 H22 N2 O
• Calculated formula: C18 H22 N2 O
• SMILES: O(c1ccc(/N=C/c2ccc(N(CC)CC)cc2)cc1)C
• Title of publication: (<i>E</i>)-<i>N</i>,<i>N</i>-Diethyl-4-{[(4-meth-oxy-phen-yl)imino]-meth-yl}aniline: crystal structure, Hirshfeld surface analysis and energy framework.
• Authors of publication: Subashini, A.; Kumaravel, R.; Tharmalingam, B.; Ramamurthi, K.; Crochet, Aurélien; Stoeckli-Evans, Helen
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 2
• Pages of publication: 201 - 206
• a: 8.383 ± 0.0007 Å
• b: 9.2872 ± 0.0007 Å
• c: 11.2981 ± 0.0009 Å
• α: 78.991 ± 0.006°
• β: 71.009 ± 0.006°
• γ: 74.174 ± 0.006°
• Cell volume: 795.14 ± 0.12 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No