1-(2-Methoxy-ethoxy)-4-nitro-benzene.
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ABSTRACT:
SUBMITTER: Liu Y
PROVIDER: S-EPMC2914974 | biostudies-literature |
REPOSITORIES: biostudies-literature
Similar Datasets
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Project description:The meth-oxy group of the title compound, C(7)H(5)Cl(3)O, is rotated out of the plane of the aromatic ring system, with a dihedral angle of 84.11 (13)°, due to the two bulky ortho-chloro substituents.
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Project description:In the title compound, C(20)H(22)N(2)O(5), the central 1,3,4-oxadiazole ring is essentially planar [r.m.s. deviation from the best plane of 0.0011?Å] and makes dihedral angles of 4.10?(3) and 13.32?(4)° with the two benzene rings. In the crystal structure, the packing is stabilized by weak non-classical inter-molecular C-H?N hydrogen bonds, which link the mol-ecules into an extended network.
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Project description:The title compound, C(8)H(18)N(4)O(2) (2+)·2Cl(-), contains two oxime groups. The methyl oxime group has a Z configuration, and the ethyl oxime group is disordered, with both Z and E configurations in occupancies of 0.840?(8) and 0.160?(8), respectively. In the crystal structure, there are a number of N-H?Cl hydrogen bonds.
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Project description:The title compound, C(17)H(19)N(3)O(3)S, crystallizes with two closely similar independent mol-ecules related by a pseudotranslation of c/2. Each mol-ecule consists of three approximately planar moieties centred on the N(2)CS group and the two ring systems. The packing involves classical H bonds of the form N(amide)-H⋯S and N(hydrazine)-H⋯OC, together with various weak hydrogen bonds and N(hydrazine)-H⋯π inter-actions. The overall packing is three-dimensional, but layer substructures parallel to the xz plane can be readily identified. Each mol-ecule forms a topologically equivalent set of hydrogen-bond inter-actions.
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Project description:In the title compound, C(11)H(14)N(2)O(5), the nitro group is approximately coplanar with the benzene ring, making a dihedral angle of 4.26 (17)°. The dihedral angle between the methyl-carbamate group and the benzene ring is 72.47 (6)°. There is a strong inter-molecular N-H⋯O hydrogen bond between the N and O atoms from adjacent methyl-carbamate groups, forming a one-dimensional network along the a axis.
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Project description:The mol-ecule of the title compound, C(6)H(7)N(3)O(2), a derivative of o-phenyl-enediamine, nearly shows non-crystallographic C(s) symmetry. C-C-C angles span the range 116.25?(11)-122.35?(11)°. In the crystal, inter-molecular N-H?O and N-H?N hydrogen bonds connect mol-ecules into undulating sheets perpendicular to the crystallographic a axis. A weak intra-molecular N-H?O hydrogen bond is also observed. No ?-stacking is observed in the crystal structure.
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Project description:The non-H atoms of the title mol-ecule, C(6)H(4)BrNO(2), are essentially coplanar with an r.m.s. deviation of 0.040 Å. In the crystal, π-π stacking occurs between parallel benzene rings of adjacent mol-ecules with centroid-centroid distances of 3.643 (3) and 3.741 (3) Å. Weak inter-molecular C-H⋯O hydrogen bonding and short Br⋯O contacts [3.227 (4) 3.401 (4) Å] are also observed in the crystal structure. The crystal studied was a non-morohedral twin with a 26.1 (6)% minor component.
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Project description:The asymmetric unit of the title compound, C(8)H(6)N(2)O(4), consists of two independent mol-ecules with similar geometries, each adopting a trans configuration about the olefinic double bond. The two mol-ecules are both almost planar (r.m.s. deviations = 0.034 and 0.035?Å) and form a dihedral angle of 83.62?(2)°. Short N?O contacts [2.834?(3)-2.861?(3)?Å] are observed between the nitro groups of neighbouring mol-ecules, with the O atom located directly atop the p orbital of the N atom. In the crystal, the mol-ecules are linked into a three-dimensional network by the N?O inter-actions and by C-H?O hydrogen bonds.
| S-EPMC2971267 | biostudies-literature
Project description:In the mol-ecule of the title compound, C(16)H(17)NO(3), the aromatic rings are oriented at a dihedral angle of 29.25?(8)°. An intra-molecular O-H?N hydrogen bond results in the formation of a nearly planar [maximum deviation 0.034?(13)?Å] six-membered ring, which is oriented at dihedral angles of 0.91?(1) and 28.91?(12)° with respect to the aromatic rings. The title mol-ecule is a phenol-imine tautomer, as evidenced by C-O, C-N and C-C bond lengths. In the crystal, mol-ecules are linked by inter-molecular C-H?O hydrogen bonds that generate C(8) chains.
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