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Melaminium 2,4,6-trihydroxy-benzoate dihydrate.

ABSTRACT: In the title compound, C(3)H(7)N(6) (+)·C(7)H(5)O(5) (-)·2H(2)O, the melaminium and benzoate ions are approximately planar (r.m.s. deviation of the non-hydrogen atoms is 0.093 Å) and there is a strong C(2) (2)(8) hydrogen-bonding embrace between them. The centre of symmetry generates a second acid-base pair which is bound to the first by a C(2) (2)(8) (N-H⋯N) embrace common between melamine mol-ecules in similar compounds. Further extensive hydrogen bonding assembles the components into a three-dimensional hydrogen-bonded network.

SUBMITTER: Prior TJ

PROVIDER: S-EPMC2969927 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Bis(melaminium) tartrate dihydrate.

Project description:In the title compound, 2C(3)H(7)N(6) (+)·C(4)H(4)O(6) (2-)·2H(2)O, in which the complete anion is generated by crystallographic twofold symmetry, there are O-H⋯O, N-H⋯O and N-H⋯N hydrogen-bonding inter-actions between neighbouring moieties, forming layers parallel to the bc plane. In addition, π-π contacts [centroid-centroid distance = 3.6541 (9) Å] between the six-membered rings of the melamine cations are observed.

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Bis(melaminium) succinate succinic acid monosolvate dihydrate.

Project description:The asymmetric unit of the solvated title salt, 2C(3)H(7)N(6) (+)·C(4)H(4)O(4) (2-)·C(4)H(6)O(4)·2H(2)O, contains one essentially planar melaminium (2,4,6-triamino-1,3,5-triazin-1-ium) cation (r.m.s. deviation of the non-H atoms = 0.0097 Å), one-half of a succinate anion, one-half of a succinic acid solvent mol-ecule and one water molecule of crystallization; full mol-ecules are generated by inversion symmetry. Supra-molecular layers parallel to (12-1) are formed through extensive inter-molecular hydrogen bonding of the types O-H⋯O, N-H⋯N and N-H⋯O between the components.

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(E)-N'-(2,4,6-Trihydroxy-benzyl-idene)isonicotinohydrazide sesquihydrate.

Project description:In the title compound, C(13)H(11)N(3)O(4)·1.5H(2)O, the pyridine ring forms a dihedral angle of 1.50?(6)° with the benzene ring. An intra-molecular O-H?N hydrogen bond forms a six-membered ring with an S(6) ring motif. In the crystal structure, one water mol-ecule is disordered over two positions around an inversion centre with site-occupancy factors of 0.5. Inter-molecular O-H?N, O-H?O, N-H?O and C-H?O hydrogen bonds consolidate the structure into a three dimensional network. A ?-? stacking inter-action with a centroid-centroid distance of 3.5949?(7)?Å is also present.

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2,4,6-Trinitro-phenyl benzoate.

Project description:In the title mol-ecule, C13H7N3O8, the phenyl and benzene rings are rotated from the mean plane of the central ester group by 18.41 (9) and 81.80 (5)°, respectively. The dihedral angle between the rings is 80.12 (14)°. In the crystal, mol-ecules are linked by weak C-H⋯O inter-actions, forming helical chains along [010].

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2,4,6-Trinitro-phenyl 4-methyl-benzoate.

Project description:In the title compound, C(14)H(9)N(3)O(8), the benzene rings form a dihedral angle of 69.02?(5)°. The central ester group is rotated by 25.86?(9)° relative to the p-tolyl group. In the crystal, the mol-ecules are linked by C-H?O inter-actions into helical chains along [010].

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2,4,6-Trinitro-phenyl 3-methyl-benzoate.

Project description:In the title benzoate derivative, C(14)H(9)N(3)O(8), the benzene rings form a dihedral angle of 87.48 (5)°. The central ester unit forms an angle of 19.42 (7)° with the methyl-benzene ring, indicating a significant twist. In the crystal, the mol-ecules are linked by weak C-H⋯O inter-actions forming a helical chain along [010].

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2,4,6-Trinitro-phenyl 4-chloro-benzoate.

Project description:In the title benzoate derivative, C13H6ClN3O8, the planes of the benzene rings form a dihedral angle of 63.46 (5)°. The dihedral angles between the benzene ring and its nitro groups are 12.78 (16)° for the first ortho, 28.4 (4) and 17.4 (4)° for the second (disordered) ortho and 3.58 (16)° for the para nitro group. The central ester moiety, -C-(C=O)-O-, is essentially planar (r.m.s. deviation for all non-H atoms = 0.0229 Å) and forms dihedral angles of 7.37 (14)° with the chloro-substituted benzene ring and 69.85 (6)° with the trinitro-substituted benzene ring. One of the nitro groups was refined as disordered over two sets of sites with fixed site occupancies of 0.61 and 0.39. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds, forming a three-dimensional network.

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N'-(5-Chloro-2-hydroxy-benzyl-idene)-3,4,5-trihydroxy-benzohydrazide dihydrate.

Project description:The benzohydrazide mol-ecule in the title dihydrate, C(14)H(11)ClN(2)O(5)·2H(2)O, is non-planar, with the two aromatic rings at either side of the -C(=O)-NH-N=CH- unit forming a dihedral angle of 29.7?(2)°. The benzohydrazide mol-ecule is linked to the water mol-ecules by O-H?O and N-H?O hydrogen bonds, with other O-H?O hydrogen bonds leading to a layer structure.

| S-EPMC2968776 | biostudies-literature

N'-(5-Bromo-2-hydroxy-benzyl-idene)-3,4,5-trihydroxy-benzohydrazide dihydrate.

Project description:The title compound, C(14)H(11)BrN(2)O(5)·2H(2)O, crystallizes as hydrogen-bonded sheets. The 2-hydr-oxy group on the benzyl-idene group forms an intra-molecular hydrogen bond to the N atom of the C=N double bond. The amino N atom is a hydrogen-bond donor to a water mol-ecule. The hydr-oxy group on the benzohydrazide group is a hydrogen-bond donor to one acceptor site, whereas each water mol-ecule is a hydrogen-bond donor to two acceptor sites.

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