Information card for entry 7250803

Structure parameters

• Formula: C14 H19 Cl N2 O4
• Calculated formula: C14 H19 Cl N2 O4
• Title of publication: Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium
• Authors of publication: Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 37
• Pages of publication: 6163 - 6173
• a: 8.1255 ± 0.0005 Å
• b: 8.1953 ± 0.0004 Å
• c: 12.3764 ± 0.0006 Å
• α: 84.836 ± 0.004°
• β: 73.423 ± 0.005°
• γ: 78.518 ± 0.005°
• Cell volume: 773.61 ± 0.08 ų
• Cell temperature: 296.17 ± 0.16 K
• Ambient diffraction temperature: 296.17 ± 0.16 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1855
• Weighted residual factors for all reflections included in the refinement: 0.1921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No