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N-(2-Phen-oxy-phen-yl)pyrazine-2-carboxamide.

ABSTRACT: In the title compound, C(17)H(13)N(3)O(2), the pyrazine ring is oriented at 1.65?(11) and 88.33?(17)° with respect to the benzene rings. The benzene rings are nearly perpendicular to each other [dihedral angle 87.14?(17)°]. In the crystal, a weak C-H?N hydrogen bond occurs.

SUBMITTER: Noroozi Tisseh M

PROVIDER: S-EPMC3515256 | biostudies-other | 2012 Nov

REPOSITORIES: biostudies-other

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N-(2-Phen-oxy-phen-yl)pyrazine-2-carboxamide.

Noroozi Tisseh Mehri M Kargar Razi Maryam M Khavasi Hamid Reza HR

Acta crystallographica. Section E, Structure reports online 20121020 Pt 11

In the title compound, C(17)H(13)N(3)O(2), the pyrazine ring is oriented at 1.65 (11) and 88.33 (17)° with respect to the benzene rings. The benzene rings are nearly perpendicular to each other [dihedral angle 87.14 (17)°]. In the crystal, a weak C-H⋯N hydrogen bond occurs. ...[more]

PMID: 23284476

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1-[4-(Difluoro-meth-oxy)phen-yl]-N-(3,4-dimeth-oxy-phen-yl)-1H-1,2,4-triazole-3-carboxamide.

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3-(4-Meth-oxy-phen-yl)pyrido[2,3-b]pyrazine.

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Crystal structure of N-[(4-eth-oxy-phen-yl)carbamo-thio-yl]cyclo-hexa-ne-carboxamide.

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Crystal structures of N-(pyridin-2-ylmeth-yl)pyrazine-2-carboxamide (monoclinic polymorph) and N-(pyridin-4-ylmeth-yl)pyrazine-2-carboxamide.

Project description:The title compounds, C11H10N4O (HL1) and C11H10N4O (HL2), are pyridine 2-ylmethyl and 4-ylmethyl derivatives, respectively, of pyrazine-2-carboxamide. HL1 was measured at 153?K and crystallized in the monoclinic space group P21/c with Z = 4. There has been a report of the same structure measured at room temperature but assumed to crystallize in the triclinic space group P-1 with Z = 4 [Sasan et al. (2008 ?). Monatsh. Chem. 139, 773-780]. In HL1, the pyridine ring is inclined to the pyrazine ring by 61.34?(6)°, while in HL2 this dihedral angle is 84.33?(12)°. In both mol-ecules, there is a short N-H?N inter-action involving the pyrazine carboxamide unit. In the crystal of HL1, mol-ecules are linked by N-H?N hydrogen bonds, forming inversion dimers with an R 2 (2)(10) ring motif. The dimers are linked via bifurcated-acceptor C-H?O hydrogen bonds, forming sheets lying parallel to (102). The sheets are linked via C-H?N hydrogen bonds, forming a three-dimensional structure. In the crystal of HL2, mol-ecules are linked by N-H?N and C-H?N hydrogen bonds to form chains propagating along [010]. The chains are linked via C-H?O hydrogen bonds, forming sheets lying parallel to (100). Within the sheets there are ?-? inter-actions involving neighbouring pyrazine rings [inter-centroid distance = 3.711?(15)?Å]. Adjacent sheets are linked via parallel slipped ?-? inter-actions involving inversion-related pyridine rings [inter-centroid distance = 3.6395?(17)?Å], forming a three-dimensional structure.

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N-(4-{4-[2-(Trifluoro-meth-oxy)phen-yl]piperazin-1-yl}but-yl)thio-phene-2-carboxamide dihydrate.

Project description:In the title compound, C(20)H(24)F(3)N(3)O(2)S·2H(2)O, a dopamine D3 ligand, the piperazine ring adopts a chair conformation while the piperazine and benzene rings form a dihedral angle of 47.71?(6)°. In the crystal, mol-ecules are linked by inter-molecular N-H?O and O-H?O hydrogen bonds. In the mol-ecular structure, the F atoms of the trifluoro-methyl group are disordered over two sites with occupancies of 0.69?(11) and 0.31?(11).

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Crystal structure of (E)-2-[(2-hy-droxy-4-meth-oxy-phen-yl)(phen-yl)methyl-idene]-N-phenyl-hydrazine-1-carboxamide.

Project description:The title compound, C21H19N3O3, has an E conformation about the azomethine double bond. The central moiety of the hydrazinecarboxamide moiety [-N-N-C(=O)-N-] has an almost coplanar arrangement [maximum deviation for the C atom = 0.010 (2) Å]. This central moiety is flanked by three aromatic rings and its mean plane makes dihedral angles of 24.7 (1), 72.91 (12) and 34.26 (11) Å, respectively, with the phenolic ring, the phenyl ring attached to the same C atom as the phenolic ring, and the phenyl-hydrazine ring. The adjacent phenolic and phenyl rings are twisted away from each other to reduce steric hindrance and make a dihedral angle of 80.59 (12)°. The phenolic and phenyl-hydrazine rings are inclined to one another by 28.89 (11)°. The rigidity of the mol-ecule is increased by an intra-molecular O-H⋯N hydrogen bond involving the phenolic hydrogen and the azomethine N atom. In the crystal, the carbonyl O atom forms bifurcated hydrogen bonds with the two NH atoms of the hydrazinic group, leading to the formation of chains propagating along [001]. Within the chains there are also C-H⋯O hydrogen bonds present. The chains are linked via C=O⋯π [3.4316 (18) Å] and parallel slipped π-π inter-actions, involving inversion-related benzene rings [centroid-centroid distance = 3.8850 (14) Å; inter-planar distance = 3.3895 (10) Å; slippage = 1.899 Å], forming sheets lying parallel to (100).

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