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2-Bromo-4,4-dimethyl-1-(2,4,5-trimethoxy-phen-yl)pentan-3-one.

ABSTRACT: The three meth-oxy groups of the title compound, C(16)H(23)BrO(4), are almost coplanar with the attached aromatic ring, forming dihedral angles of 7.19 (13), 2.48 (13) and 7.24 (12)°. The crystal structure shows an intra-molecular and an inter-molecular C-H⋯O inter-action.

SUBMITTER: Tang LL

PROVIDER: S-EPMC2969792 | biostudies-literature | 2009 May

REPOSITORIES: biostudies-literature

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2-Bromo-4,4-dimethyl-1-(2,4,5-trimethoxy-phen-yl)pentan-3-one.

Tang Lin-Lin LL Ye Jiao J Liu Qi-Xing QX Hu Ai-Xi AX

Acta crystallographica. Section E, Structure reports online 20090523 Pt 6

The three meth-oxy groups of the title compound, C(16)H(23)BrO(4), are almost coplanar with the attached aromatic ring, forming dihedral angles of 7.19 (13), 2.48 (13) and 7.24 (12)°. The crystal structure shows an intra-molecular and an inter-molecular C-H⋯O inter-action. ...[more]

PMID: 21583210

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6-(4-Bromo-phen-yl)-2-eth-oxy-4-(2,4,5-trimethoxy-phen-yl)nicotinonitrile.

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Project description:In the title compound, C(18)H(17)BrO(4), the dihedral angle between the 4-bromo-phenyl and 3,4,5-trimethoxy-phenyl rings is 44.18 (6)°. In the crystal structure, the mol-ecules are linked by C-H⋯O and C-H⋯π inter-actions.

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Project description:In the asymmetric unit of the title nicotinonitrile derivative, C(23)H(21)BrN(2)O(4), there are two non-planar independent mol-ecules. The central pyridine ring makes dihedral angles of 9.05 (7) and 77.06 (7)°, respectively, with the 4-bromo-phenyl and 2,4,6-trimethoxy-phenyl rings in one mol-ecule, whereas the corresponding values are 5.96 (7) and 82.37 (7)° in the other. All the three meth-oxy groups are essentially in the plane of the attached benzene ring [C-O-C-C angles = 2.99 (19), 4.8 (2) and -6.2 (2)° in one mol-ecule, and 2.69 (18), 176.73 (15) and 1.3 (2)° in the other]. The eth-oxy group is slightly twisted in one mol-ecule [C-C-O-C = 173.84 (12)°], whereas it is coplanar with the pyridine ring in the other [C-C-O-C = -177.23 (13)°]. Weak intra-molecular C-H⋯N inter-actions generate S(5) ring motifs. In the crystal structure, the mol-ecules are linked by weak inter-molecular C-H⋯N and C-H⋯O inter-actions into a supra-molecular three-dimensional network in such a way that the nicotinonitrile units of neighboring mol-ecules are stacked in an anti-parallel manner along the c axis. The crystal is further stabilized by C-H⋯π inter-actions.

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