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Crystal structure of 2-cyano-N-(furan-2-ylmeth-yl)acetamide.

ABSTRACT: In the title compound, C8H8N2O2, the acetamide unit is inclined to the furan ring by 76.7 (1)°. In the crystal, mol-ecules are linked by N-H⋯O and C-H⋯O hydrogen bonds, generating C(4) chains along [100]. The carbonyl O atom is a bifurcated acceptor and an R (1) 2(6) ring is formed.

SUBMITTER: Subhadramma S

PROVIDER: S-EPMC4518919 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Crystal structure of 2-cyano-N-(furan-2-ylmeth-yl)-3-(3-nitro-phen-yl)propanamide.

Project description:In the title compound, C15H11N3O4, the acetamide group is inclined to the furan ring by 66.5 (1)°. The dihedral angle between the furan ring and the benzene ring is 66.8 (1)°. In the crystal, mol-ecules are linked by pairs of N-H⋯N hydrogen bonds, forming inversion dimers with an R 2 (2)(12) ring motif. The dimers are linked via two pairs of C-H⋯O hydrogen bonds to the same acceptor oxygen atom, enclosing R 2 (1)(6) ring motifs, forming chains along the [101] direction.

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Crystal structure of N-[4-amino-5-cyano-6-(methyl-sulfan-yl)pyridin-2-yl]acetamide hemihydrate.

Project description:The title compound, C9H10N4OS·0.5H2O, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit, together with a water mol-ecule of crystallization. The acetamide moiety, which has an extended conformation, is inclined to the pyridine ring by 7.95?(16)° in mol-ecule A and by 1.77?(16)° in mol-ecule B. In the crystal, the A and B mol-ecules are linked by two N-H?Ocarbon-yl hydrogen bonds, forming a dimer. The dimers are linked via N-H?N hydrogen bonds, forming ribbons that are linked by N-H?Owater hydrogen bonds to form sheets parallel to (110). The sheets are linked by O-H?N hydrogen bonds, forming slabs, and between the slabs there are weak slipped parallel ?-? inter-actions [inter-centroid distance = 3.734?(2)?Å, inter-planar distance = 3.3505?(11)?Å and slippage = 1.648?Å], forming a three-dimensional structure.

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Crystal structure of N-[4-amino-5-cyano-6-(methyl-sulfan-yl)pyridin-2-yl]-2-chloro-acetamide.

Project description:In the title compound, C9H9ClN4OS, the dihedral angle between the acetamide moiety and the pyridine ring is 4.83?(12)°. The O=C-C-Cl torsion angle is 46.4?(3)° and an intra-molecular C-H?O inter-action generates an S(6) ring. In the crystal, mol-ecules are linked by N-H?O, N-H?N and C-H?N hydrogen bonds, generating sheets lying parallel to (120).

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Crystal structure of N-[4-amino-5-cyano-6-(methyl-sulfan-yl)pyridin-2-yl]-2-(cyclo-hexyl-sulfan-yl)acetamide.

Project description:In the title mol-ecule, C15H20N4OS2, the acetamido fragment is nearly coplanar with the pyridyl ring [C-N-C-C torsion angle = -4.1?(2)°], while the cyclo-hexyl-sulfanyl portion protrudes from this plane [N-C-C-S torsion angle = -40.8?(6)°]. In the crystal, alternating pairwise N-H?O and N-H?N hydrogen bonds across inversion centres form chains along [101], which are associated into stepped layers via offset ?-? stacking between pyridyl rings [centroid-centroid distance = 3.566?(1)?Å]. The cyclo-hexyl group and the two atoms of the S-C bond attached to it are disordered over two sets of sites with site-occupancy factors of 0.8845?(18) and 0.1155?(18).

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2-(Furan-2-yl)-1,3-bis(furan-2-ylmeth-yl)-1H-benzimidazol-3-ium chloride monohydrate.

Project description:The title hydrated salt, C(21)H(17)N(2)O(3) (+)·Cl(-)·H(2)O, exhibits disorder in one of the furan rings. The major and minor components have a refined occupancy ratio of 0.844?(19):0.156?(19). The structure displays intermolecular hydrogen bonding involving the water molecule and the chloride anion. Close intermolecular C-H?Cl and C-H?(furan ring) inter-actions complete the hydrogen bonding.

| S-EPMC3470365 | biostudies-literature

rac-1-(Furan-2-ylmeth-yl)-N-nitro-5-(oxolan-2-ylmeth-yl)-1,3,5-triazinan-2-imine.

Project description:In the title compound C(13)H(19)N(5)O(4), which belongs to the insecticidally active neonicotinoid group of compounds, the triazane ring exhibits a half-chair conformation. The large discrepancy between the two nitro O-N-N bond angles [116.1?(2) and 123.98?(19)°] may be attributed to intra-molecular N-H?O hydrogen bonding involving one of the nitro O atoms as the acceptor. The delocalization of the electrons extends as far as the nitro group, forming coplanar ?-electron networks. In the crystal, inversion dimers lined by pairs of N-H?O hydrogen bonds occur.

| S-EPMC2983308 | biostudies-literature

Crystal structure of (E)-(benzyl-idene)(pyridin-2-ylmeth-yl)amine.

Project description:In the title mol-ecule, C13H12N2, all non-H atoms, except for those of the pyridine ring, are essentially coplanar, with an r.m.s. deviation of 0.025?Å. The mean plane of these atoms forms a dihedral angle of 80.98?(4)° with the pyridine ring. In the crystal, weak C-H?? inter-actions link the mol-ecules, forming a three-dimensional network.

| S-EPMC4719968 | biostudies-literature

(E)-2-{[(Furan-2-ylmeth-yl)imino]-meth-yl}-4-nitro-phenol.

Project description:In the title compound, C12H10N2O4, the furan-2-ylmethyl group is disordered over two sets of sites, with refined occupancies of 0.858?(3) and 0.143?(3). In the major component of disorder, the dihedral angle between the furan and benzene rings is 63.1?(2)° and for the minor component this value is 67.9?(6)°. The planes of the nitro group and the attached benzene ring form a dihedral angle of 4.34?(17)°. In the crystal, inversion-related mol-ecules are linked by two pairs of weak C-H?O inter-actions, one involving the nitro group and the other involving the O-H group as an acceptor. As a result of these associations, ribbons are formed along [120]. A strong intra-molecular O-H?N hydrogen bond is observed.

| S-EPMC3998629 | biostudies-literature

Crystal structure of 2-chloro-N-(3-fluoro-phen-yl)acetamide.

Project description:In the title compound, C8H7ClFNO, the F atom is disordred over the meta positions of the benzene ring in a 0.574?(4):0.426?(4) ratio and the Cl atom is syn to the O atom [O-C-C-Cl = 5.6?(3)°]. A short intra-molecular C-H?O contact occurs. In the crystal, mol-ecules are linked into amide C(4) chains propagating in [101] by N-H?O hydrogen bonds.

| S-EPMC4420121 | biostudies-literature

Crystal structure of bis-[1-(naphthalen-1-ylmeth-yl)pyridinium] bis-(2,2-di-cyano-ethene-1,1-di-thiol-ato-?(2) S,S')nickelate(II).

Project description:A new ion-pair complex, (C16H14N)2[Ni(C4N2S2)2] or (1-NaMePy)2[Ni(imnt)2], where 1-NaMePy is 1-(4-naphthyl-methyl-ene)pyridinium and imnt is 2,2-di-cyano-ethene-1,1-di-thiol-ate, was obtained by the direct reaction of NiCl2, K2imnt and (1-NaMePy)(+)Br(-) in H2O. The asymmetric unit contains a [1-NaMePy](+) cation and one half of an Ni(imnt)2 (2-) anion. The Ni(II) ion lies on an inversion centre and adopts a square-planar configuration with Ni-S bond lengths of 2.200?(1) and 2.216?(1)?Å. In the [1-NaMePy](+) cation, the naphthyl ringsystem and the pyridinium ring make a dihedral angle of 90.0?(2)°. In the crystal, C-H?N and C-H?Ni hydrogen bonds, as well as ?-? inter-actions between the chelate ring and the pyridinium ring [centroid-centroid distance = 3.675?(2)?Å] link the ions into a three-dimensional network.

| S-EPMC4158505 | biostudies-literature

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