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2-Methyl-3-(2-methyl-phen-yl)-7-nitro-quinazolin-4(3H)-one.

ABSTRACT: In the title methaqua-lone analogue, C(16)H(13)N(3)O(3), the 2-tolyl group is almost orthogonal [dihedral angle = 85.20 (5)°] to the fused ring system (r.m.s. deviation of fitted non-H atoms = 0.029 Å). In the crystal, twofold symmetry generates two-mol-ecule aggregates linked by C-H⋯O and π-π inter-actions [ring centroid-centroid distance = 3.4967 (6) Å].

SUBMITTER: El-Azab AS

PROVIDER: S-EPMC3297915 | biostudies-literature |

REPOSITORIES: biostudies-literature

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(S)-2-(3-Nitro-phen-yl)-1,2-dihydro-quinazolin-4(3H)-one.

Project description:In the racemic title compound, C(14)H(11)N(3)O(3), the pyrimidine ring has an envelope conformation with the puckering parameters Q = 0.3338 (17) Å, Θ = 60.1 (3) and ϕ = 290.4 (3)°. The two N-H groups form hydrogen bonds with symmetry-related mol-ecules, building a two-dimensional network parallel to the (10) plane.

| S-EPMC2960258 | biostudies-literature

3-(4-Chloro-phen-yl)quinazolin-4(3H)-one.

Project description:In the title compound, C(14)H(9)ClN(2)O, the quinazoline unit is essentially planar, with a mean deviation from the least-squares plane defined by the ten constituent ring atoms of 0.027 (2) Å. The dihedral angle between the mean plane of the quinazoline ring system and the 4-chloro-phenyl ring is 44.63 (5)°. In the crystal, mol-ecules are linked by inter-molecular C-H⋯N and C-H⋯O hydrogen bonds, forming infinite chains of alternating R(2) (2)(6) dimers and R(2) (2)(14) ring motifs.

| S-EPMC3200588 | biostudies-literature

3-(4-Bromo-phen-yl)quinazolin-4(3H)-one.

Project description:In the title compound, C(14)H(9)BrN(2)O, the quinazoline unit is essentially planar, with a mean deviation of 0.058 (2) Å from the least-squares plane defined by the ten constituent ring atoms. The dihedral angle between the mean plane of the quinazoline ring system and the 4-bromo-phenyl ring is 47.6 (1)°. In the crystal, mol-ecules are linked by inter-molecular C-H⋯N and C-H⋯O hydrogen bonds, forming infinite chains of alternating R(2) (2)(6) dimers and R(2) (2)(14) ring motifs.

| S-EPMC3247341 | biostudies-literature

3-[(2-Chloro-6-methyl-quinolin-3-yl)meth-yl]quinazolin-4(3H)-one.

Project description:In the title mol-ecule, C(19)H(14)ClN(3)O, the quinoline and quinazoline ring systems form a dihedral angle of 80.75?(4)°. In the crystal, the mol-ecules are linked by pairs of C-H?N hydrogen bonds into centrosymmetric dimers, generating R(2) (2)(6) ring motifs. The structure is further stabilized by C-H?? inter-actions and ?-? stacking inter-actions [centroid-centroid distances = 3.7869?(8) and 3.8490?(8)?Å].

| S-EPMC3006817 | biostudies-literature

2-(5-Bromo-2-hydroxy-phen-yl)-1,2-dihydro-quinazolin-4(3H)-one.

Project description:The asymmetric unit of the title compound, C(14)H(11)BrN(2)O(2), contains two independent mol-ecules connected into a dimer by inter-molecular N-H?O hydrogen bonds involving the amine and carbonyl groups. The dimers are further connected by O-H?O hydrogen bonds, forming chains running parallel to the a axis, which are stabilized through ?-? stacking inter-actions, with a centroid-centroid distance of 3.679?(8)?Å. The dihedral angle between the two aromatic rings is 89.2?(4)°.

| S-EPMC2968101 | biostudies-literature

2,3-Di-methyl-quinazolin-4(3H)-one.

Project description:The non-H atoms of the title mol-ecule, C10H10N2O, are essentially coplanar, with a maximum deviation of 0.046?(4)?Å for the O atom. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds, forming chains along [010]. In addtion, weak C-H?? inter-actions and ?-? stacking inter-actions between benzene and pyrimidine rings, with a centroid-centroid distance of 3.730?(3)?Å, link the chains, forming a two-dimensional network parallel to (001).

| S-EPMC4120575 | 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

7-Nitro-quinazolin-4(3H)-one.

Project description:In the crystal structure of the title compound, C(8)H(5)N(3)O(3), inter-molecular N-H?O hydrogen bonds link mol-ecules into centrosymmetric dimers. These dimers are, in turn, linked though weak inter-molecular C-H?O and C-H?N hydrogen bonds and ?-? stacking inter-actions, with centroid-centroid distances of 3.678?(3)?Å, into a three-dimensional network.

| S-EPMC2960321 | biostudies-other

3-Methyl-2-(3,3,3-tri-chloro-2-hy-droxy-prop-yl)quinazolin-4(3H)-one.

Project description:The title mol-ecule, C12H11Cl3N2O2, contains planar quinazolin-4(3H)-one (r.m.s. deviation = 0.0257 Å) and propyl fragments, forming a dihedral angle of 10.4 (2)°. An intra-molecular O-H⋯N hydorgen bond occurs. In the crystal, O-H⋯O hydrogen bonds link the mol-ecules into an infinite chain running parallel to the b axis.

| S-EPMC3770371 | biostudies-literature

2-[2-(2-Anilino-4-oxo-3,4-dihydro-quinazolin-3-yl)phen-oxy]-3-phenyl-quinazolin-4(3H)-one methanol hemisolvate.

Project description:In the title compound, C(34)H(23)N(5)O(3)·0.5CH(3)OH, each pyrimid-in-one heterocycle and its adjacent benzene ring are almost coplanar, making dihedral angles of 0.69?(13) and 1.87?(13)°. The lower pyrimidinone ring makes a dihedral angle of 40.41?(15)° with the -NH- bonded phenyl ring. O-H?O hydrogen bonds and weak C-H?? inter-actions are observed in the crystal structure. The methanol solvent molecule is disordered over two positions of equal occupancy.

| S-EPMC3007481 | biostudies-literature

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