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Dimethyl 2,2-bis-(2-cyano-ethyl)malonate.

ABSTRACT: The asymmetric unit of the title compound, C(11)H(14)N(2)O(4), contains one half-mol-ecule; a twofold rotation axis passes through the central C atom. Inter-molecular C-H?N hydrogen bonds link the mol-ecules into a one-dimensional supra-molecular structure.

SUBMITTER: Wang GW

PROVIDER: S-EPMC2961140 | biostudies-literature | 2008 Apr

REPOSITORIES: biostudies-literature

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Dimethyl 2,2-bis-(2-cyano-ethyl)malonate.

Wang Guo-Wei GW Zhuang Ling-Hua LH Wu Wen-Yuan WY Wang Jin-Tang JT

Acta crystallographica. Section E, Structure reports online 20080416 Pt 5

The asymmetric unit of the title compound, C(11)H(14)N(2)O(4), contains one half-mol-ecule; a twofold rotation axis passes through the central C atom. Inter-molecular C-H⋯N hydrogen bonds link the mol-ecules into a one-dimensional supra-molecular structure. ...[more]

PMID: 21202343

Similar Datasets

2-{2-[5-(4-Cyano-5-di-cyano-methyl-idene-2,2-dimethyl-2,5-di-hydro-furan-3-yl)penta-2,4-dienyl-idene]-3,3-dimethyl-2,3-di-hydro-1H-indol-1-yl}ethyl 3,5-bis-(benz-yloxy)benzoate.

Project description:In the title mol-ecule, C48H42N4O5, a potential non-linear optical compound, the furan ring [r.m.s. deviation = 0.010?(1)?Å] and the indolyl-idene ring system [r.m.s. deviation = 0.013?(2)?Å] are inclined to one another by 18.52?(6)°. This is similar to the arrangement [16.51?(18)°] found for the N-hy-droxy-ethyl adduct of the title compound [Bhuiyan et al. (2011 ?). Mol. Cryst. Liq. Cryst. 548, 1-12]. Replacing the hy-droxy-ethyl group with 3,5-di-benzyl-oxybenzoate has not resulted in a non-centrosymmetric lattice arrangement or significant changes to the basic mol-ecular structure. In the crystal, mol-ecules are linked via pairs of C-H?N hydrogen bonds, forming inversion dimers with an R (2) 2(20) ring motif. The dimers are linked via C-H?O hydrogen bonds, forming C(17) chains along [010]. The chains are linked by further C-H?N hydrogen bonds, forming layers parallel to (001) and enclosing R 2 (2)(44) ring motifs. There are also C-H?? inter-actions present, stabilizing the inter-layer orientation of the pendant bis-(benz-yloxy)benzo-yloxy group.

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