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2-Methyl-anilinium 3,4,5,6-tetra-bromo-2-(meth-oxy-carbon-yl)benzoate methanol monosolvate.

ABSTRACT: In the anion of the title compound, C(7)H(10)N(+)·C(9)H(3)Br(4)O(4) (-)·CH(3)O, the dihedral angles formed by the benzene ring and the mean planes of the carboxyl-ate and meth-oxy-carbonyl groups are 74.8 (5) and 75.0 (5)°, respectively. In the crystal, inter-molecular N-H⋯O and O-H⋯O hydrogen bonds link the components into chains along [100]. Additional stabilization is provided by weak inter-molecular C-H⋯O hydrogen bonds.

SUBMITTER: Li J

PROVIDER: S-EPMC3099999 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Ethanaminium 3,4,5,6-tetra-bromo-2-(meth-oxy-carbon-yl)benzoate methanol monosolvate.

Project description:In the crystal structure of the title compound, C(2)H(8)N(+)·C(9)H(3)Br(4)O(4) (-)·CH(4)O, inter-molecular N-H?O and O-H?O hydrogen bonds link the components into chains along [001]. Additional stabilization is supplied by weak C-H?O and C-H?Br inter-actions.

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Project description:In the crystal structure of the title compound, C(4)H(12)N(+)·C(9)H(3)Br(4)O(4) (-)·CH(4)O, inter-molecular O-H?O, N-H?O and C-H?O hydrogen bonds link the components into columns stacked along the b axis. Between the columns, short Br?O contacts [3.122?(4)?Å] and C-H?O hydrogen bonds are observed.

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2-Hy-droxy-ethanaminium 3,4,5,6-tetra-bromo-2-(meth-oxy-carbon-yl)benzoate methanol monosolvate.

Project description:In the title compound, C(2)H(8)NO(+)·C(9)H(3)Br(4)O(4) (-)·CH(4)O, inter-molecular N-H?O and O-H?O hydrogen bonds link the components into chains along [001].

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Project description:In the title compound, C(6)H(18)N(2) (2+)·2C(9)H(3)Br(4)O(4) (-)·2CH(4)O, the carboxyl-ate and meth-oxy-carbonyl groups in one of the anions form dihedral angles of 71.9?(3) and 60.7?(3)°, respectively, with the aromatic ring while in the other anion these angles are 68.4?(3) and 56.8?(3)°, respectively. In the crystal, the constituent units are linked into a two-dimensional network parallel to the ab plane by N-H?O and O-H?O hydrogen bonds.

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Methanaminium 3,4,5,6-tetra-chloro-2-(meth-oxy-carbon-yl)benzoate.

Project description:In the crystal structure of the title compound, CH(6)N(+)·C(9)H(3)Cl(4)O(4) (-), the N atom of the methyl-amine mol-ecule is protonated and hydrogen bonded to the carboxyl group of the 3,4,5,6-tetra-chloro-2-(meth-oxy-carbon-yl)benzoate anion. The anions are linked by the cations via inter-molecular N-H⋯O inter-actions into chains extending along the c axis.

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Propan-1-aminium 3,4,5,6-tetra-bromo-2-(meth-oxy-carbon-yl)benzoate N,N-dimethyl-formamide monosolvate.

Project description:In the anion of the title solvated molecular salt, C(3)H(10)N(+)·C(9)H(3)Br(4)O(4) (-)·C(3)H(7)NO, the dihedral angles formed by the aromatic ring and the mean planes of the carboxyl-ate and meth-oxy-carbonyl groups are 64.3?(3) and 75.2?(3)°, respectively. The C atoms of the propan-1-aminium cation are disordered over two sets of sites in a 0.65?(3):0.35?(3) ratio. The crystal structure is stabilized by N-H?O hydrogen bonds.

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Ethane-1,2-diaminium 3,4,5,6-tetra-bromo-2-(methoxy-carbon-yl)benzoate methanol solvate.

Project description:In the title compound, C(2)H(10)N(2) (2+)·2C(9)H(3)Br(4)O(4) (-)·CH(4)O, the N atoms of the ethane-1,2-diamine mol-ecule are protonated. The crystal structure is stabilized by N-H⋯O hydrogen bonds between the ethane-1,2-diaminium cations and 3,4,5,6-tetra-bromo-2-(methoxy-carbon-yl)bromo-benzoate anions, and by O-H⋯O and N-H⋯O hydrogen bonds between the methanol solvate and both the cation and the anion. In addition, the crystal structure exhibits a C-Br⋯O halogen bond [3.20 (3) Å] and a Br⋯Br inter-action [3.560 (2) Å].

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Propan-1-aminium 3,4,5,6-tetra-chloro-2-(meth-oxy-carbon-yl)benzoate.

Project description:In the anion of the title salt, C(3)H(10)N(+)·C(9)H(3)Cl(4)O(4) (-), the meth-oxy-carbonyl and carboxyl groups are aligned at dihedral angles of 57.8 (3) and 62.5 (3)°, respectively, with the aromatic ring. In the crystal, the cations and anions are linked by N-H⋯O hydrogen bonds, generating chains running aong the c axis.

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Methyl 2-amino-3,4,5,6-tetra-fluoro-benzoate.

Project description:In the title compound, C(8)H(5)F(4)NO(2), synthesized by esterification of 2,3,4,5-tetra-fluoro-anthranilic acid with methanol, an intra-molecular amine N-H?O(carbon-yl) hydrogen bond is present, while inter-molecular N-H?O hydrogen bonds produce chains in the crystal, which extend along the b-axis direction.

| S-EPMC3120311 | biostudies-literature

Comparison of the crystal structures of methyl 4-bromo-2-(meth-oxy-meth-oxy)benzoate and 4-bromo-3-(meth-oxy-meth-oxy)benzoic acid.

Project description:The title compounds, C10H11BrO4, (I), and C9H9BrO4, (II), are derivatives of bromo-hy-droxy-benzoic acids. Compound (II) crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. In both (I) and (II), the O-CH2-O-CH3 side chain is not in its fully extended conformation; the O-C-O-C torsion angle is 67.3 (3) ° in (I), and -65.8 (3) and -74.1 (3)° in mol-ecules A and B, respectively, in compound (II). In the crystal of (I), mol-ecules are linked by C-H⋯O hydrogen bonds, forming C(5) chains along [010]. The chains are linked by short Br⋯O contacts [3.047 (2) Å], forming sheets parallel to the bc plane. The sheets are linked via C-H⋯π inter-actions, forming a three-dimensional architecture. In the crystal of (II), mol-ecules A and B are linked to form R 2 (2)(8) dimers via two strong O-H⋯O hydrogen bonds. These dimers are linked into ⋯A-B⋯A-B⋯A-B⋯ [C 2 (2)(15)] chains along [011] by C-H⋯O hydrogen bonds. The chains are linked by slipped parallel π-π inter-actions [inter-centroid distances = 3.6787 (18) and 3.8431 (17) Å], leading to the formation of slabs parallel to the bc plane.

| S-EPMC4910316 | biostudies-literature

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