Information card for entry 8106204

Structure parameters

• Formula: C18 H21 N3 O2
• Calculated formula: C18 H21 N3 O2
• Title of publication: Crystal structure of 1-[(Z)-[4-(4-methoxyphenyl)butan-2-ylidene]amino]-3-phenylurea, C18H21N3O2
• Authors of publication: Tan, Ming Yueh; Crouse, Karen A.; Ravoof, Thahira B.S.A.; Tiekink, Edward R.T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 3
• Pages of publication: 525 - 527
• a: 8.5155 ± 0.0004 Å
• b: 10.6415 ± 0.0004 Å
• c: 19.0732 ± 0.001 Å
• α: 80.918 ± 0.004°
• β: 89.689 ± 0.004°
• γ: 80.666 ± 0.004°
• Cell volume: 1683.74 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0961
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1333
• 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: No