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4-(4-Amino-2-fluoro-phen-oxy)-7-meth-oxy-quinazolin-6-ol methanol monosolvate.

ABSTRACT: In the title compound, C(15)H(12)FN(3)O(3)·CH(3)OH, the dihedral angle between the quinazoline ring system and the benzene ring is 81.18 (9)°. In the crystal, mol-ecules are linked by N-H⋯O and O-H⋯N hydrogen bonds, generating [10-1] chains of alternating main mol-ecules and solvent mol-ecules. Weak C-H⋯O inter-actions are also observed.

SUBMITTER: Huang W

PROVIDER: S-EPMC3344092 | biostudies-literature |

REPOSITORIES: biostudies-literature

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4-Dimethyl-amino-N'-(2-hy-droxy-4-meth-oxy-benzyl-idene)benzohydrazide methanol monosolvate.

Project description:The asymmetric unit of the title compound, C(17)H(19)N(3)O(3)·CH(4)O, comprises two Schiff base mol-ecules and two methanol solvent mol-ecules. The Schiff base mol-ecules are approximately planar, with r.m.s. deviations from the planes defined by the non-H atoms of 0.107 and 0.154?Å, and with dihedral angles between the benzene rings of 4.49?(15) and 8.39?(15)°, respectively. This near-planarity is assisted by the formation of intra-molecular O-H?N hydrogen bonds in each mol-ecule. In the crystal, the components are linked by N-H?O and O-H?O hydrogen bonds to form chains along [010].

| S-EPMC3470357 | biostudies-literature

Crystal structure of 4,5-bis-(3,4,5-tri-meth-oxy-phen-yl)-2H-1,2,3-triazole methanol monosolvate.

Project description:The title compound, C20H23N3O6·CH3OH, was synthesized by [3 + 2] cyclo-addition of (Z)-2,3-bis-(3,4,5-tri-meth-oxy-phen-yl)acrylo-nitrile with sodium azide and ammonium chloride in DMF/water. The central nitro-gen of the triazole ring is protonated. The dihedral angles between the triazole ring and the 3,4,5-tri-meth-oxy-phenyl ring planes are 34.31?(4) and 45.03?(5)°, while that between the 3,4,5-tri-meth-oxy-phenyl rings is 51.87?(5)°. In the crystal, the mol-ecules, along with two methanol solvent mol-ecules are linked into an R (4) 4(10) centrosymmetric dimer by N-H?O and O-H?N hydrogen bonds.

| S-EPMC4257191 | biostudies-literature

2-Anilino-3-(2-hy-droxy-phen-yl)quinazolin-4(3H)-one methanol monosolvate.

Project description:In the title compound, C(20)H(15)N(3)O(2)·CH(3)OH, the quinazolin-one ring system is approximately planar, the dihedral angle between the pyrimidinone ring and the adjacent benzene ring being 1.73?(6)°. The pyrimidinone ring makes dihedral angles of 77.58?(6) and 29.62?(6)°, respectively, with the hy-droxy-phenyl and phenyl rings. In the crystal, the components are connected by O-H?O and C-H?O hydrogen bonds, forming a zigzag chain along the b axis.

| S-EPMC3008070 | biostudies-literature

4-Chloro-N'-(4-meth-oxy-benzyl-idene)benzohydrazide methanol monosolvate.

Project description:The title compound, C(15)H(13)ClN(2)O(2)·CH(4)O, consists of a 4-chloro-N'-(4-meth-oxy-benzyl-idene)benzohydrazide (CMB) mol-ecule and a methanol mol-ecule of crystallization. It was obtained by the condensation of 4-meth-oxy-benzaldehyde with 4-chloro-benzohydrazide. In the CMB mol-ecule, the dihedral angle between the two benzene rings is 50.1?(3)°. The methanol mol-ecule is linked to the CMB mol-ecule through O-H?O and O-H?N hydrogen bonds. In the crystal, CMB mol-ecules are linked through inter-molecular N-H?O hydrogen bonds, involving the methanol mol-ecule, forming chains propagating along [010].

| S-EPMC3009357 | biostudies-literature

1,5-Bis(2-meth-oxy-benzyl-idene)thio-carbonohydrazide methanol monosolvate.

Project description:The title compound, C17H18N4O2S·CH3OH, was synthesized by the condensation reaction of o-meth-oxy-benzaldehyde with thio-carbohydrazide in methanol. The two benzene rings are inclined each to other at 31.7?(1)°. Inter-molecular N-H?O and bifurcated O-H?N(S) hydrogen bonds link two thio-carbonohydrazide and two solvent mol-ecules into a centrosymmetric unit. These units, related by translation along the b axis, are further aggregated into columns through N-H?S hydrogen bonds.

| S-EPMC3770410 | biostudies-literature

1,5-Bis(4-meth-oxy-benzyl-idene)thio-carbonohydrazide methanol monosolvate.

Project description:In the title compound, C(17)H(18)N(4)O(2)S·CH(3)OH, the two benzene rings in the thio-carbonohydrazide mol-ecule form a dihedral angle of 22.42?(18)°. Pairs of N-H?S hydrogen bonds link thio-carbonohydrazide mol-ecules into centrosymmetric dimers. Methanol solvent mol-ecules serve as donors (O-H?S and O-H?N) and acceptors (N-H?O and C-H?O) of weak inter-molecular hydrogen bonds, which link further these dimers into double ribbons along the b axis.

| S-EPMC3213573 | biostudies-literature

N'-(3-Fluoro-benzyl-idene)-4-hy-droxy-3-meth-oxy-benzohydrazide methanol monosolvate.

Project description:In the title compound, C(15)H(13)FN(2)O(3)·CH(3)OH, the dihedral angle between the benzene rings of the benzohydrazone mol-ecule is 5.3?(3)°. The C atom of the meth-oxy group is almost coplanar with its attached ring [deviation = 0.017?(2)?Å]. The r.m.s. deviation of the 21 non-H atoms of the hydrazone mol-ecule is 0.106?Å. In the crystal, the components are linked by O(m)-H?O(h), N(h)-H?O(m) and O(h)-H?O(h) (m = methanol and h = hydrazone) hydrogen bonds, forming (001) layers.

| S-EPMC3344474 | biostudies-other

(2,3,5,6-Tetra-fluoro-phenolato)[5,10,15,20-tetra-kis-(4-meth-oxy-phen-yl)porphyrinato]iron(III) cyclo-hexane monosolvate.

Project description:The title compound, [Fe(C6HF4O)(C48H36N4O4)]·C6H12, represents a five-coordinate iron(III) porphyrin complex in a square-pyramidal geometry with a tetra-fluoro-phenolate anion as the axial ligand. The Fe(III) atom is displaced by 0.364?(2)?Å from the 24-atom mean plane of the porphyrinate ring towards the tetra-fluoro phenolate anion. The average Fe-N distance is 2.053?(2)?Å and the Fe-O distance is 1.883?(2)?Å. A porphyrin aryl H atom points in the general direction of the phenoxide ring. The mean plane separation between the 24-atom porphyrin planes of two adjacent porphyrin rings is ?3.7?Å, and the lateral shift is ?3.5?Å resu, ting in an Fe?Fe separation of 5.6167?(14)?Å.

| S-EPMC3790344 | biostudies-literature

4-(3-Fluoro-4-meth-oxy-phen-yl)-1-(4-meth-oxy-phen-yl)-5-(3,4,5-trimeth-oxy-phen-yl)-1H-imidazole.

Project description:In the title mol-ecule, C(26)H(25)FN(2)O(5), the fluoro-meth-oxy-, meth-oxy- and trimeth-oxy-substituted benzene rings form dihedral angles of 12.65?(2), 84.15?(2) and 55.67?(2)°, respectively, with the imidazole ring. The crystal structure is stabilized weak inter-molecular C-H?F and C-H?O hydrogen bonds.

| S-EPMC3011382 | biostudies-literature

1-(Isopropyl-amino)-3-phen-oxy-propan-2-ol.

Project description:In the crystal structure of the title amino alcohol derivitive, C(12)H(19)NO(2), mol-ecules are linked by N-H?O hydrogen bonds. The mol-ecular structure exhibits an intra-molecular O-H?N hydrogen bond.

| S-EPMC3275041 | biostudies-literature

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