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N-(2-Chloro-eth-yl)pyrazine-2-carboxamide.

ABSTRACT: In the title mol-ecule, C(7)H(8)ClN(3)O, the pyrazine and amide groups are almost co-planar [N-C-C-N torsion angle = -2.4?(2) °], a conformation stabilized by an intra-molecular N-H?N hydrogen bond. The chloro-ethyl group lies out of the plane [N-C-C-Cl = -65.06?(17) °]. In the crystal, the presence of N-H?N hydrogen bonds leads to the formation of a C(6) supra-molecular chain along the b axis. The carbonyl-O atom accepts two C-H?O inter-actions. These, plus Cl?Cl short contacts [3.3653?(6)?Å], consolidate the packing of the chains in the crystal.

SUBMITTER: da Silva Lima CH

PROVIDER: S-EPMC3009184 | biostudies-literature | 2010 Oct

REPOSITORIES: biostudies-literature

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N-(2-Chloro-eth-yl)pyrazine-2-carboxamide.

da Silva Lima Camilo H CH de Souza Marcus V N MV Wardell Solange M S V SM Wardell James L JL Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20101023 Pt 11

In the title mol-ecule, C(7)H(8)ClN(3)O, the pyrazine and amide groups are almost co-planar [N-C-C-N torsion angle = -2.4 (2) °], a conformation stabilized by an intra-molecular N-H⋯N hydrogen bond. The chloro-ethyl group lies out of the plane [N-C-C-Cl = -65.06 (17) °]. In the crystal, the presence of N-H⋯N hydrogen bonds leads to the formation of a C(6) supra-molecular chain along the b axis. The carbonyl-O atom accepts two C-H⋯O inter-actions. These, plus Cl⋯Cl short contacts [3.3653 (6) Å], ...[more]

PMID: 21589067

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