Information card for entry 2105442

Structure parameters

• Formula: C15 H24 Cl2 N3 O2 P
• Calculated formula: C15 H24 Cl2 N3 O2 P
• SMILES: Clc1c(C(=O)NP(=O)(NC(C)(C)C)NC(C)(C)C)c(Cl)ccc1
• Title of publication: Analysis of N—H···O hydrogen bonds in new C(O)—NH—P(O)-based phosphoric triamides and analogous structures deposited in the Cambridge Structural Database
• Authors of publication: Pourayoubi, Mehrdad; Toghraee, Maryam; Divjakovic, Vladimir; van der Lee, Arie; Mancilla Percino, Teresa; Leyva Ramírez, Marco A.; Saneei, Anahid
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: 184 - 194
• a: 9.7455 ± 0.0002 Å
• b: 10.0122 ± 0.0003 Å
• c: 11.7163 ± 0.0003 Å
• α: 66.278 ± 0.003°
• β: 67.729 ± 0.002°
• γ: 84.121 ± 0.002°
• Cell volume: 966.85 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9719
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes