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4-Chloro-2,6-dinitro-phenol.

ABSTRACT: The aromatic ring of the title compound, C(6)H(3)ClN(2)O(5), is almost planar (r.m.s. deviation = 0.007?Å); one nitro substituent is nearly coplanar with the ring [dihedral angle = 3(1)°], whereas the other is twisted [dihedral angle = 36?(1)°]. The phenol OH group is intra-molecularly hydrogen bonded to the nitro group that is coplanar with the ring, generating an S(6) graph-set motif.

SUBMITTER: Ng SW

PROVIDER: S-EPMC3011538 | biostudies-literature |

REPOSITORIES: biostudies-literature

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3-Chloro-5-meth-oxy-2,6-dinitro-pyridine.

Project description:In the crystal structure of the title compound, C(6)H(4)ClN(3)O(5), the two nitro groups are twisted with respect to the pyridine ring, making dihedral angles of 33.12 (13) and 63.66 (14)°.

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Crystal structure of 4-amino-2,6-di-chloro-phenol.

Project description:The title compound, C6H5Cl2NO, has a single planar mol-ecule in the asymmetric unit with the non-H atoms possessing a mean deviation from planarity of 0.020 Å. In the crystal, O-H⋯N hydrogen bonds lead to the formation of infinite chains along [101] which are further linked by N-H⋯O hydrogen bonds, forming (010) sheets.

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Project description:The asymmetric unit of the title compound, C(19)H(22)ClNO, contains two independent mol-ecules in which the dihedral angles between the aromatic rings are 76.45?(9) and 74.69?(9)°. An intra-molecular O-H?N hydrogen bond occurs in each mol-ecule. The crystal structure features weak C-H?? inter-actions.

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3,3'-Dinitro-bis-phenol A.

Project description:THE TITLE COMPOUND [SYSTEMATIC NAME: 2,2'-dinitro-4,4'-(propane-2,2-di-yl)diphenol], C(15)H(14)N(2)O(6), crystallizes with two mol-ecules in the asymmetric unit. Both have a trans conformation for their OH groups, and in each, the two aromatic rings are nearly orthogonal, with dihedral angles of 88.30?(3) and 89.62?(2)°. The nitro groups are nearly in the planes of their attached benzene rings, with C-C-N-O torsion angles in the range 1.21?(17)-4.06?(17)°, and they each accept an intra-molecular O-H?O hydrogen bond from their adjacent OH groups. One of the OH groups also forms a weak inter-molecular O-H?O hydrogen bond.

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2,6-Di-tert-butyl-4-(3-chloro-2-hy-droxy-prop-yl)phenol.

Project description:In the title 2-propanol derivative, C(17)H(27)ClO(2), the two tert-butyl groups both have one methyl C atom lying in the plane of the aromatic ring. In the crystal, the phenol group forms a hydrogen bond to the hy-droxy O atom belonging to the alkyl substituent of an adjacent mol-ecule, forming a chain along the ac diagonal. The Cl atom is disordered over two positions in a 0.73?(4):0.27?(4) ratio.

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2-Bromo-4-chloro-6-[(2,6-diisopropyl-phen-yl)imino-meth-yl]phenol.

Project description:There are two molecules in the asymmetric unit of the title compound, C(19)H(21)BrClNO, with dihedral angles between the aromatic rings of 70.0 (2) and 81.9 (3)°. The crystal structure is stabilized by inter-molecular C-H⋯π and C-Br⋯π inter-actions. In additional, the stacked mol-ecules exhibit intra-molecular O-H⋯N hydrogen bonds.

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N,N-Diethyl-anilinium 5-(5-chloro-2,4-dinitro-phen-yl)-2,6-dioxo-1,2,3,6-tetra-hydro-pyrimidin-4-olate.

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Isopropyl 4-chloro-3,5-dinitro-benzoate.

Project description:In the title compound, C(10)H(9)ClN(2)O(6), the two nitro groups and the ester group are oriented with respect to the benzene ring at dihedral angles of 49.42?(13)/87.61?(13) and 9.10?(10)°, respectively. In the crystal structure, a weak C-H?O inter-action is present. A short Cl?O contact of 2.972?(2)?Å is also observed in the crystal structure.

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Methyl 4-chloro-3,5-dinitro-benzoate.

Project description:In the mol-ecule of the title compound, C(8)H(5)ClN(2)O(6), the two nitro groups and the ester group make dihedral angles of 29.6?(1)°, 82.3?(1)° and 13.7?(1)°, respectively, with the benzene ring. In the crystal structure weak C-H?O inter-actions are present.

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Ethyl 4-chloro-3,5-dinitro-benzoate.

Project description:In the title compound, C(9)H(7)ClN(2)O(6), the nitro groups and the ester group make dihedral angles of 44.0?(1), 89.6?(1) and 164.1?(1)°, respectively, with the benzene ring. In the crystal, mol-ecules are linked through weak C-H?O hydrogen-bonding inter-actions. Mol-ecules are stacked via ?-? inter-actions about inversion centers, with a centroid-centroid distance of 3.671?(2)?Å.

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