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(E)-5-Benzyl-1-methyl-N-nitro-1,3,5-triazinan-2-imine.

ABSTRACT: In the title compound, C(11)H(15)N(5)O(2), the 1,3,5-triazine ring exhibits a half-chair conformation. An intra-molecular N-H⋯O inter-action occurs. In the crystal structure, mol-ecules are connected by inter-molecular C-H⋯O and N-H⋯N hydrogen bonds, forming a zigzag chain along the b axis.

SUBMITTER: Xu LZ

PROVIDER: S-EPMC2983939 | biostudies-literature |

REPOSITORIES: biostudies-literature

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(E)-3-[1-(2,4-Difluoro-phen-yl)eth-yl]-5-methyl-N-nitro-1,3,5-oxadiazinan-4-imine.

Project description:The 1,3,5-oxadiazinane ring in the title compound, C(12)H(14)F(2)N(4)O(3), has a conformation inter-mediate between half-chair and screw-boat. The crystal structure is stabilized by weak inter-molecular C-H?O hydrogen bonds. Weak ?-? inter-actions are indicated by the relatively long centroid-centroid distance of 3.9199?(12)?Å and inter-planar distance of 3.803?Å between symmetry-related benzene rings from neighbouring mol-ecules.

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Project description:In the title compound, C(12)H(15)ClN(4)O(3), which has potential insecticidal activity, the oxadiazine ring and the benzene ring make a dihedral angle of 84.63?(2)° to one another. The crystal packing involves weak inter-molecular C-H?O hydrogen bonds.

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Project description:The title compound, C(14)H(24)N(4)O(3), was synthesized by the reaction of geranyl and 3-methyl-4-nitro-imino-1,3,5-oxadiazinane. In the crystal structure, mol-ecules are assembled by weak inter-molecular C-H?O hydrogen bonds. The nitryl and the long carbon chain are located on the same side of the C=N bond due to the two weak intra-molecular C-H?N hydrogen bonds; the configuration of the oxadiazinane is Z.

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(E)-1-[1-(4-Chloro-phen-yl)eth-yl]-3,5-dimethyl-N-nitro-1,3,5-triazinan-2-imine.

Project description:In the title compound, C(13)H(18)ClN(5)O(2), the 1,3,5-triazinane ring exhibits an envelope conformation with an E form. The chloro-phenyl ring and the nitro group are each twisted with respect to the mean plane of the triazinane ring, making dihedral angles of 67.30?(9) and 83.54?(8)°, respectively. In the crystal, weak inter-molecular C-H?O hydrogen bonds build up a corrugated layer parallel to the (101) plane.

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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.

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(E)-Methyl 3-(2-nitro-benzyl-idene)dithio-carbazate.

Project description:The asymmetric unit of the title compound, C(9)H(9)N(3)O(2)S(2), contains two independent mol-ecules, A and B, with similar bond dimensions. In both mol-ecules, the nitro group is tilted with respect to the aromatic ring [dihedral angles 32.0?(1)° in mol-ecule A and 34.0?(1)° in mol-ecule B]. The dithio-carbazate unit is nearly coplanar with the aromatic ring in both mol-ecules. For mol-ecule B, pairs of mol-ecules are linked by N-H?O and C-H?O hydrogen bonds about a centre of symmetry to form a dimer, whereas mol-ecules A are not involved in hydrogen bonding in the crystal structure.

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(E)-4-Methyl-N'-(3-nitro-benzyl-idene)benzohydrazide.

Project description:In the title compound, C(15)H(13)N(3)O(3), the dihedral angle between the benzene rings is 1.01?(3)° and that between the nitro group and its attached ring is 5.99?(15)°. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds generating C(4) chains along [010].

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3-Benzyl-6-benzyl-amino-1-methyl-5-nitro-1,2,3,4-tetra-hydro-pyrimidine.

Project description:In the title compound, C(19)H(22)N(4)O(2), the tetra-hydro-pyrimidine ring adopts an envelope conformation (with the N atom connected to the benzyl group representing the flap). This benzyl group occupies a quasi-axial position. The two benzyl groups lie over the tetra-hydro-pyridimidine ring. The amino group is a hydrogen-bond donor to the nitro group.

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N'-[(Z)-4-Methyl-benzyl-idene]-4-nitro-benzohydrazide monohydrate.

Project description:In the title compound, C(15)H(13)N(3)O(3)·H(2)O, the two benzene rings form a dihedral angle of 2.03?(2)°. In the crystal structure, adjacent hydrazide mol-ecules are linked into dimers by water mol-ecules; these dimers are then stacked along the b axis. Inter-molecular O-H?O, O-H?N and C-H?O hydrogen bonds and a ?-? stacking inter-action between the nitro-benzene and tolyl rings with a centroid-centroid distance of 3.8208?(3)?Å are observed. There is also a short O?N contact [2.6824?(7)?Å].

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4-Methyl-N-(4-nitro-benzyl-idene)piperazin-1-amine.

Project description:In the title compound, C12H16N4O2, the piperazine ring is in a slightly distorted chair conformation. In the mol-ecule, the mean plane of the nitro group is twisted by 8.0?(3)° from that of the benzene ring. Also, the mean plane of the 2-nitro-benzyl ring is twisted slightly from that of the piperazine ring, with an N-N=C-C torsion angle of -176.24?(11)°. In the crystal, pairs of weak C-H?O inter-actions link the mol-ecules into dimers approximately along [010].

| S-EPMC3884341 | biostudies-literature

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