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N-(4-Bromo-phen-yl)pyrazine-2-carbox-amide.

de Lima Ferreira M, de Souza MV, Wardell SM, Wardell JL, Tiekink ER - Acta Crystallogr Sect E Struct Rep Online (2010)

Bottom Line: The mol-ecule of the title compound, C(11)H(8)BrN(3)O, is close to planar (r.m.s. deviation of all 16 non-H atoms = 0.103 Å), a conformation stabilized by an intra-molecular N-H⋯N hydrogen bond, which generates an S(5) ring.In the crystal structure, supra-molecular chains mediated by C-H⋯O contacts (along a) are linked into a double layer via N⋯Br halogen bonds [3.207 (5) Å] and C-Br⋯π inter-actions [Br⋯ring centroid(pyrazine) = 3.446 (3) Å].The layers stack along the b axis via weak π-π inter-actions [ring centroid(pyrazine)⋯ring centroid(benzene) distance = 3.803 (4) Å].

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ABSTRACT
The mol-ecule of the title compound, C(11)H(8)BrN(3)O, is close to planar (r.m.s. deviation of all 16 non-H atoms = 0.103 Å), a conformation stabilized by an intra-molecular N-H⋯N hydrogen bond, which generates an S(5) ring. In the crystal structure, supra-molecular chains mediated by C-H⋯O contacts (along a) are linked into a double layer via N⋯Br halogen bonds [3.207 (5) Å] and C-Br⋯π inter-actions [Br⋯ring centroid(pyrazine) = 3.446 (3) Å]. The layers stack along the b axis via weak π-π inter-actions [ring centroid(pyrazine)⋯ring centroid(benzene) distance = 3.803 (4) Å].

No MeSH data available.


The molecular structure of (I) showing displacement ellipsoids at the 50% probability level.
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Fap1: The molecular structure of (I) showing displacement ellipsoids at the 50% probability level.


N-(4-Bromo-phen-yl)pyrazine-2-carbox-amide.

de Lima Ferreira M, de Souza MV, Wardell SM, Wardell JL, Tiekink ER - Acta Crystallogr Sect E Struct Rep Online (2010)

The molecular structure of (I) showing displacement ellipsoids at the 50% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3009118&req=5

Fap1: The molecular structure of (I) showing displacement ellipsoids at the 50% probability level.
Bottom Line: The mol-ecule of the title compound, C(11)H(8)BrN(3)O, is close to planar (r.m.s. deviation of all 16 non-H atoms = 0.103 Å), a conformation stabilized by an intra-molecular N-H⋯N hydrogen bond, which generates an S(5) ring.In the crystal structure, supra-molecular chains mediated by C-H⋯O contacts (along a) are linked into a double layer via N⋯Br halogen bonds [3.207 (5) Å] and C-Br⋯π inter-actions [Br⋯ring centroid(pyrazine) = 3.446 (3) Å].The layers stack along the b axis via weak π-π inter-actions [ring centroid(pyrazine)⋯ring centroid(benzene) distance = 3.803 (4) Å].

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The mol-ecule of the title compound, C(11)H(8)BrN(3)O, is close to planar (r.m.s. deviation of all 16 non-H atoms = 0.103 Å), a conformation stabilized by an intra-molecular N-H⋯N hydrogen bond, which generates an S(5) ring. In the crystal structure, supra-molecular chains mediated by C-H⋯O contacts (along a) are linked into a double layer via N⋯Br halogen bonds [3.207 (5) Å] and C-Br⋯π inter-actions [Br⋯ring centroid(pyrazine) = 3.446 (3) Å]. The layers stack along the b axis via weak π-π inter-actions [ring centroid(pyrazine)⋯ring centroid(benzene) distance = 3.803 (4) Å].

No MeSH data available.