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N-(4-Cyano-benz-yl)benzamide.

ABSTRACT: The title compound, C(15)H(12)N(2)O, is a derivative of 4-(amino-meth-yl)benzonitrile, an important pestcide inter-mediate. In the crystal structure, mol-ecules are linked via inter-molecular N-H⋯O hydrogen bonds, forming infinite chains.

SUBMITTER: Tong YL

PROVIDER: S-EPMC2959981 | biostudies-literature |

REPOSITORIES: biostudies-literature

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N-(Cyano-meth-yl)benzamide.

Project description:In the structure of the title compound, C(9)H(8)N(2)O, the amide group is twisted by a dihedral angle of 21.86 (7)° with respect to the benzene ring, while the planes of the benzene ring and cyano-methyl group form a dihedral angle of 53.13 (11)°. In the crystal structure, mol-ecules are linked via N-H⋯O hydrogen bonds, forming a chain running parallel to the a axis.

| S-EPMC2983510 | biostudies-literature

N-(4-Cyano-phen-yl)-2,6-difluoro-benzamide.

Project description:In the title compound, C(14)H(8)F(2)N(2)O, the amide plane is inclined at dihedral angles of 28.12?(12) and 32.89?(12)° with respect to the two benzene rings; the dihedral angle between the two rings is 5.58?(5)°. In the crystal, inter-molecular N-H?O and C-H?F hydrogen bonds link adjacent mol-ecules into a double-chain structure along the b axis.

| S-EPMC3011460 | biostudies-literature

1,3-Bis(2-cyano-benz-yl)imidazolium bromide.

Project description:In the title salt, C(19)H(15)N(4) (+)·Br(-), the central imidazole ring makes dihedral angles of 83.1 (2) and 87.6 (2)° with the terminal benzene rings. The dihedral angle between the terminal benzene rings is 6.77 (19)°; the cyanide substituents have an anti orientation. In the crystal, the cations and anions are linked via C-H⋯N and C-H⋯Br hydrogen bonds, forming sheets lying parallel to the ac plane.

| S-EPMC3239090 | biostudies-literature

4-[1-(4-Cyano-benz-yl)-1H-benzimidazol-2-yl]benzonitrile.

Project description:In the title compound, C(22)H(14)N(4), a new substituted benzimidazole, three inter-molecular C-H⋯N inter-actions link neighbouring mol-ecules into different dimers with R(2) (2)(12), R(2) (2)(8) and R(2) (2)(24) ring motifs. A fourth C-H⋯N inter-action links neighbouring mol-ecules along the c axis. There is also a short inter-molecular contact between the azomethine (C=N) segment of the benzimidazole ring and one of the C atoms of a neighbouring benzene ring [N⋯C = 3.191 (5), C⋯C = 3.364 (6) Å], which links the mol-ecules along the a axis. The two cyano-benzene rings are almost perpendicular to each other, with an inter-planar angle of 87.70 (7)°. The dihedral angles between the mean planes of the benzimidazole ring and the two outer benzene rings are 36.27 (16) and 86.70 (16)°. In the crystal structure, mol-ecules are stacked down the a axis with centroid-centroid distances of 3.906 (2)-3.912 (2) Å and inter-planar distances of 3.5040 (17) and 3.6235 (17) Å.

| S-EPMC2969064 | biostudies-literature

N-(4-Hydr-oxy-3-methoxy-benz-yl)benzamide.

Project description:In the mol-ecular structure of the title compound, C(15)H(15)NO(3), the two benzene rings are twisted with respect to each other, making a dihedral angle of 75.11?(10)°. In the amide fragment, the C=O and C-N bond distances are 1.248?(3) and 1.321?(3)?Å, respectively, indicating electron delocalization. A partially ovelapped arrangement between parallel hydroxy-methoxy-benzene rings is observed in the crystal structure, and the face-to-face distance of 3.531?(16)?Å suggests the existence of weak ?-? stacking. N-H?O and O-H?O hydrogen bonding is also present in the crystal structure.

| S-EPMC2977390 | biostudies-literature

1-(4-Cyano-benz-yl)-4-methyl-pyridinium bromide.

Project description:In the title compound, C(14)H(13)N(2) (+)·Br(-), the 1-(4-cyano-benz-yl)-4-methyl-pyridinium cation has a ?-shaped conformation, and the dihedral angle between the benzene and pyridinium rings is 75.8?(2)°. In the crystal, two cations form a dimer through ?-? inter-actions between pyridine rings [the centroid-centroid distance is 3.685?(1)?Å].

| S-EPMC2969263 | biostudies-literature

3-Cyano-N-(2-hydroxy-benz-yl)anilinium chloride.

Project description:In the cation of the title compound, C(14)H(13)N(2)O(+)·Cl(-), the two benzene rings are roughly parallel and are twisted slightly from each other by a dihedral angle of only 2.87 (1)°. In the crystal, weak inter-molecular N-H⋯Cl and O-H⋯Cl hydrogen bonds link the cations and anions into chains extended along the b axis.

| S-EPMC2983496 | biostudies-literature

Bis[(4-cyano-benz-yl)ammonium] bis-(perchlorate) monohydrate.

Project description:The asymmetric unit of the title compound, 2C(8)H(9)N(2) (+)·2ClO(4) (-)·H(2)O, consists of two (4-cyano-benz-yl)>ammonium cations, two disordered ClO(4) (-) anions and one water mol-ecule. The differences in the two cations are reflected in the N-C-C-C torsion angles [-94.7 (3) and -115.9 (3)°]. In addition, the cations show different hydrogen-bonding patterns as one N atom bonds to two O atoms of ClO(4) (-) ions, while the other N atom is involved in hydrogen bonding with the O atoms of the ClO(4) (-) ions and water mol-ecules. In the crystal, N-H⋯O and O-H⋯O hydrogen bonds result in a three-dimensional network. An O atom in each of the anions is disordered over two positions of equal occupancy.

| S-EPMC3239064 | biostudies-literature

3-Cyano-N-(2-hy-droxy-benz-yl)anilinium nitrate.

Project description:In the crystal structure of the title compound, C(14)H(13)N(2)O(+)·NO(3) (-), N-H⋯O and O-H⋯O hydrogen bonds link cations and anions into a two-dimensional network parallel to (100). The dihedral angle between the rings is 9.48 (2)°.

| S-EPMC3051545 | biostudies-literature

Dimethyl 1-(3-cyano-benz-yl)-1H-pyrazole-3,5-dicarboxyl-ate.

Project description:In the mol-ecule of the title compound, C(15)H(13)N(3)O(4), the dihedral angle between the pyrazole and benzene ring planes is 67.7 (1)°. The crystal structure is stabilized by an intra-molecular C-H⋯O hydrogen bond and two weak inter-molecular C-H⋯O inter-actions.

| S-EPMC2977805 | biostudies-literature

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