Information card for entry 2001055

Structure parameters

• Formula: C17 H12 Cl2 N2
• Calculated formula: C17 H12 Cl2 N2
• SMILES: N#C[C@H]1CC(=N[C@@H]1c1ccc(cc1)Cl)c1ccc(cc1)Cl.N#C[C@@H]1CC(=N[C@H]1c1ccc(cc1)Cl)c1ccc(cc1)Cl
• Title of publication: Structures of two 4,5-dihydro-3<i>H</i>-pyrroles (1-pyrrolines)
• Authors of publication: Steel, P. J.; Katritzky, A. R.; Greenhill, J. V.; Hitchings, G. J.; Zhao, X.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 2
• Pages of publication: 325 - 328
• a: 9.78 ± 0.004 Å
• b: 5.841 ± 0.003 Å
• c: 26.112 ± 0.01 Å
• α: 90°
• β: 93.02 ± 0.03°
• γ: 90°
• Cell volume: 1489.6 ± 1.1 ų
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No