The molecular structure of (I), with 50% probability displacement ellipsoids.
2-[(4-Bromophenyl)(4-fluorophenylamino)methyl]cyclohexanone
✍ Scribed by Yuan, Guang-Xin ;Sun, Jing-Bo ;Zhang, Li-Hua ;Lu, Gang
- Book ID
- 104491527
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 973 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
In the crystal structure of the title compound, C 19 H 19 BrFNO, molecules are connected into dimers via intermolecular N-HÁ Á ÁO hydrogen bonding. The dihedral angle between the two benzene rings is 74.84 (1) . The cyclohexane ring has the usual chair conformation.
Related literature
For related literature, see: Shou et al. (2006). Experimental Crystal data C 19 H 19 BrFNO M r = 376.26 Monoclinic, P2 1 =n a = 12.6501 (14) A b = 8.2310 (9) A c = 17.0111 (18) A = 103.031 (2) V = 1725.6 (3) A ˚3 Z = 4 Mo K radiation = 2.40 mm À1 T = 295 (2) K 0.37 Â 0.31 Â 0.17 mm Data collection Bruker SMART CCD area-detector diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T min = 0.450, T max = 0.660 8450 measured reflections 3060 independent reflections 1669 reflections with I > 2(I) R int = 0.120 Refinement R[F 2 > 2(F 2 )] = 0.048 wR(F 2 ) = 0.113 S = 0.82 3060 reflections
📜 SIMILAR VOLUMES
The title compound, C 16 H 13 BrOS, was prepared by the Lewis acid-catalysed reaction of 4 0 -bromo-1,1 0 -biphenyl-4-ol withchloro--(methylsulfanyl)acetone. The crystal structure is stabilized by a C-HÁ Á Á interaction involving a CH group of the 4-bromophenyl ring and the furan ring.
In the title compound, C~13~H~9~BrN~2~, the dihedral angle between the benzimidazole and benzene ring systems is 26.71 (9) Å. The molecules are linked by intermolecular N—H...N hydrogen bonds to form infinite chains parallel to the __b__ axis.