ABSTRACT: In the title compound, C(13)H(12)N(4)O(6), the mean plane through the nitro-benzene forms a dihedral angle of 37.38?(15)° with the plane through the imidazole ring. The crystal packing is stabilized by weak inter-molecular C-H?O and C-H?N inter-actions together with ?-? stacking inter-actions between nitro-benzene rings [centroid-centroid distance = 3.788?(3)?Å] and between imidazole rings [centroid-centroid distance = 3.590?(2)?Å].
Project description:In the asymmetric unit of the title compound, C13H13N3O3, the 2-(2-methoxphen-yl)ethenyl unit is connected to the methyl-nitro-imidazole 1-methyl-4-nitro-1H-imidazole moiety. The mol-ecule is quasi-planar and the planes of the two rings form a dihedral angle of 0.92?(11)°. The crystal packing can be described as layers parallel to the (011) plane, stabilized by inter-molecular C-H?O hydrogen bonding, resulting in the formation of an infinite three-dimensional network linking these layers. Strong ?-? stacking inter-actions are observed, viz. benzene-benzene, imidazole-imidazole and benzene-imidazole rings, with centroid-centroid distances of 3.528?(2), 3.457?(2) and 3.544?(2)?Å, respectively. Intensity statistics indicated twinning by non-merohedry, with refined weighs of the twin components of 0.3687:0.6313.
Project description:In the title compound, C(8)H(7)N(3)O(2)·H(2)O, the 2-methyl-5-nitro-1H-benzimidazole mol-ecule, excluding the methyl H atoms, is approximately planar, with a maximum deviation of 0.137?(1)?Å. The crystal structure is stabilized by water mol-ecules via N-H?O(water), O(water)-H?O and O(water)-H?N hydrogen bonds, forming sheets parallel to the (100) plane. A short inter-molecular contact between the benzene and imidazole rings, with a centroid-centroid distance of 3.6419?(10)?Å, indicates a ?-? inter-action.
Project description:The title compound, C(13)H(9)N(3)O(5), prepared as a solid derivative of 3-nitro-analine via reaction with 4-nitro-benzoyl chloride, crystallizes in a chiral space group. The mol-ecule is non-planar with a dihedral angle of 26.1?(1)° between the two benzene rings. Both nitro groups are twisted slightly out of the plane of their corresponding benzene rings, making dihedral angles of 10.7?(4) and 13.5?(4)°. The mol-ecules are stacked along the a axis with benzene ring centroid-centroid distances of 3.8878?(6)?Å. In the crystal, inter-molecular benzene C-H?O inter-actions involving one nitro group and the carbonyl group link the mol-ecules, forming chains along . An additional set of aromatic C-H?O inter-actions with the second nitro group form chains along , connecting adjacent chains to create layers perpendicular to the b axis.
Project description:In the title mol-ecule, C(26)H(16)BrN(3)O(3), the anthracene and benzene mean planes make dihedral angles of 63.79?(2) and 14.67?(2)°, respectively, with the plane of the imidazole ring. In the crystal structure, weak inter-molecular C-H?O hydrogen bonds link mol-ecules to form centrosymmetric dimers. Weak ?-? stacking inter-actions, with centroid-centroid distances of 3.779?(2) and 3.826?(2)?Å, supply additional stabilization. The crystal packing also exhibits short inter-molecular contacts between the nitro groups and Br atoms [Br?O = 3.114?(2)?Å].
Project description:In the title salt, C6H12N3 (+)·C7H3N2O7 (-), the imidazole ring is planar, with a maximum deviation of 0.0013?(14)?Å for the N attached to the propanaminium group. In the anion, a single intra-molecular O-H?O hydrogen bond is observed. The mean planes of the nitro groups in the anion are twisted from the benzene ring mean plane making dihedral angles of 24.7?(9) and 3.9?(6)°. In the crystal, the ammonium H atoms form N-H?N and N-H?O hydrogen bonds, resulting in an infinite chain along . In addition to the classical hydrogen bonds, weak C-H?O and ?-? [centroid-centroid distance = 3.7124?(9)?Å] inter-actions are also observed, which lead to the formation a three-dimensional supramolecular structure that links the chains into layers along the bc plane.
Project description:IN THE TITLE COMPOUND (SYSTEMATIC NAME: 1,3-diiodo-4-meth-oxy-2-nitro-benzene), C(7)H(5)I(2)NO(3), the dihedral angle between the benzene ring and the nitro group is 88.0?(3)°, and the methyl group lies almost in the same plane as the ring [deviation = 0.034?(6)?Å]. In the crystal, aromatic ?-? stacking occurs between inversion-related rings [centroid-centroid separation = 3.865?(3)?Å and slippage = 0.642?Å]. A possible weak C-I?? inter-action occurs [I?? = 3.701?(2)?Å and C-I?? = 130.18?(13)°], but there are no significant inter-molecular I?I contacts.
Project description:The mol-ecule of the title compound, C9H9N3O2S, is built up from fused five- and six-membered rings connected to methyl-sulfanyl and nitro groups, respectively. The mean plane through the fused ring system is inclined slightly relative to the plane passing through the nitro group [dihedral angle = 3.6?(2)°]. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds and ?-? inter-actions between imidazole rings [inter-centroid distance = 3.667?(3)?Å], forming a three-dimensional network.
Project description:In the title compound, C14H8N4O6, the benzoxazin-4-one fused-ring system (r.m.s. deviation = 0.018?Å) is coplanar with the attached benzene ring [dihedral angle = 0.81?(4)°], there being an intra-molecular N-H?N hydrogen bond between them. Each nitro group is twisted out of the plane of the attached benzene ring [O-N-C-C torsion angles = 167.94?(11) and 170.38?(11)°]. In the crystal, amine-nitro N-H?O hydrogen bonds lead to centrosymmetric dimeric aggregates that are connected into a three-dimensional architecture by oxazin-yl-nitro C-H?O and ?-? inter-actions [inter-centroid distance between the oxazinyl and terminal benzene rings = 3.5069?(7)?Å].
Project description:In the title compound, C17H11Br2N3O4, the dihedral angle between the planes of the naphthalene system and the benzene ring is 52.86?(8)°. The nitro substituent and the attached naphthalene system are almost coplanar [dihedral angle = 5.6?(4)°], probably as a consequence of an intra-molecular N-H?O hydrogen bond with the amine group. The nitro substituent attached to the benzene ring is disordered over two sets of sites with occupancies of 0.694?(3) and 0.306?(3). The major component deviates significantly from the ring plane [dihedral angle = 53.6?(2)°]. In the crystal, the mol-ecules are linked into a three-dimensional array by extensive ?-? inter-actions involving both the naphthalene and benzene rings [range of centroid-centroid distances = 3.5295?(16)-3.9629?(18)?Å] and C-H?O inter-actions involving the methyl-ene H atoms and the phenyl-attached nitro group.
Project description:In the title compound, C(13)H(10)N(2)O(3), the central C-C(=O)-N-C amide unit makes dihedral angles of 21.68?(4) and 19.08?(4)°, respectively, with the phenyl and nitro-benzene rings. The two aromatic rings are inclined at 3.74?(3)° and the nitro group is skewed out of the attached benzene ring plane by 18.55?(8)°. An intra-molecular N-H?O inter-action to an O atom of the nitro substituent generates an S(6) ring motif. In the crystal, C-H?O contacts generate two centrosymmetric ring systems with R(2) (2)(14) and R(2) (2)(20) graph-set motifs, forming zigzag chains down the a axis. ?-? inter-actions between adjacent phenyl and nitro-benzene rings [centroid-centroid distance = 3.6849?(6)?Å] also form centrosymmetric dimers. These and an additional C-H?O hydrogen bond generate an extensive three-dimensional network structure.