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Ethyl 3-[1-(4-bromo-phen-yl)eth-ylidene]carbazate.

ABSTRACT: In the crystal of the title compound, C(10)H(11)BrN(2)O(2), the mol-ecules are linked by N-H?O hydrogen bonds, forming S(4) chains propagating in [100]. A C-H?O inter-action also occurs.

SUBMITTER: Li YF

PROVIDER: S-EPMC2971419 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

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Ethyl 3-[1-(4-bromo-phen-yl)eth-ylidene]carbazate.

Li Yu-Feng YF Liu Hai-Xing HX Jian Fang-Fang FF

Acta crystallographica. Section E, Structure reports online 20091031 Pt 11

In the crystal of the title compound, C(10)H(11)BrN(2)O(2), the mol-ecules are linked by N-H⋯O hydrogen bonds, forming S(4) chains propagating in [100]. A C-H⋯O inter-action also occurs. ...[more]

PMID: 21578514

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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?? inter-actions.

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