Browse
Submit Data
Databases
API
Help

Dataset Information

19 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Liu B

PROVIDER: S-EPMC3008070 | biostudies-literature | 2010 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Liu Bi B Chen Xiao-Bao XB Yang Xu-Hong XH Pan Dong-Feng DF Ma Jun-Kai JK

Acta crystallographica. Section E, Structure reports online 20100811 Pt 9

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. ...[more]

PMID: 21588596

Similar Datasets

2-Anilino-3-(2-hy-droxy-phen-yl)quinazolin-4(3H)-one-triphenyl-phosphine oxide (1/1).

Project description:In the title compound, C(20)H(15)N(3)O(2)·C(18)H(15)OP, the pyrimidinone heterocycle and the fused phenyl ring are inclined at 1.92?(7)°. Only the hy-droxy group is involved in hydrogen bonding, whereas the amino group is shielded from potential acceptors.

| S-EPMC2983302 | 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

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

3-(4-Bromo-phen-yl)-4-(4-hy-droxy-anilino)furan-2(5H)-one.

Project description:In the title compound, C(16)H(12)BrNO(3), the butyrolactone core adopts the furan-2(5H)-one structure and forms dihedral angles of 44.80 (17) and 65.73 (18)° with the bromo-benzene and phenol rings, respectively. In the crystal, N-H⋯O and O-H⋯O hydrogen bonds link the mol-ecules, generating R(4) (3)(26) loops The edge-fused rings extend to form a chain running along the b-axis direction and C-H⋯π contacts help to consolidate the packing.

| S-EPMC3200956 | 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-(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

(S,E)-3-[(2-Hy-droxy-benzyl-idene)amino]-2-(2-hy-droxy-phen-yl)-2,3-dihydro-quinazolin-4(1H)-one.

Project description:In the title compound, C(21)H(17)N(3)O(3), the dihydro-quinazoline ring adopts a screw-boat conformation and its stereogenic C atom has an S configuration. The dihedral angle between the mean planes of the two hy-droxy-phenyl rings is 86.61?(12)°. The amino H atom forms an intra-molecular hydrogen bond with a phenol O atom, while the hydrazine N atom acts as an acceptor for the H atom of the other phenol group. In the crystal, O-H?N and O-H?O hydrogen bonds and weak C-H?centroid(?-ring) inter-molecular inter-actions are observed, forming chains along [1-10] and [110].

| S-EPMC3414304 | biostudies-literature

3-(2-Amino-ethyl)-2-(4-chloro-anilino)-quinazolin-4(3H)-one methanol 0.75-solvate.

Project description:In the asymmetric unit of the title compound, C(16)H(15)ClN(4)O·0.75CH(3)OH, there are two independent quinazolin-4(3H)-one mol-ecules and one and a half methanol mol-ecules. One of the methanol mol-ecules is disordered over two positions with equal occupancies. The dihedral angles between the quinazoline ring system and the chloro-benzene ring in the two quinazolin-4(3H)-one mol-ecules are essentially the same, at 39.83 (1) and 39.84 (1)°. Intra-molecular N-H⋯N and O-H⋯O, and inter-molecular N-H⋯O and N-H⋯N hydrogen bonds are observed. In addition, π-π stacking inter-actions, with centroid-to-centroid distances of 3.654 (1), 3.766 (1) and 3.767 (1) Å, and weak C-H⋯π inter-actions, are observed.

| S-EPMC2968094 | biostudies-literature

Crystal structure of 3-(4-hy-droxy-phen-yl)-2-[(E)-2-phenyl-ethen-yl]quinazolin-4(3H)-one.

Project description:The title compound, C22H16N2O2 {systematic name: 3-(4-hy-droxy-phen-yl)-2-[(E)-2-phenyl-ethen-yl]quinazolin-4(3H)-one}, consists of a substituted 2-[(E)-2-aryl-ethen-yl]-3-aryl-quinazolin-4(3H)-one skeleton. The substituents at the ethyl-ene fragment are located in trans positions. The phenyl ring is inclined to the quinazolone ring by 26.44?(19)°, while the 4-hy-droxy-phenyl ring is inclined to the quinazolone ring by 81.25?(8)°. The phenyl ring and the 4-hy-droxy-phenyl ring are inclined to one another by 78.28?(2)°. In the crystal, mol-ecules are connected via O-H?O hydrogen bonds, forming a helix along the a-axis direction. The helices are linked by C-H?? inter-actions, forming slabs parallel to (001).

| S-EPMC4910336 | biostudies-other

Crystal structure of diethyl [(4-nitro-phenyl-amino)(2-hy-droxy-phen-yl)meth-yl]phospho-nate methanol monosolvate.

Project description:In the title compound, C17H21N2O6P·CH3OH, the planes of the 4-nitro-aniline and 2-hy-droxy-phenyl groups form a dihedral angle of 84.04?(8)°. The P atom exhibits tetra-hedral geometry involving two O-ethyl groups, a C? atom and a double-bonded O atom. In the crystal, O-H?O, N-H?O and C-H?O hydrogen bonds link the ?-amino-phospho-nic acid and methanol mol-ecules into chains that propagate parallel to the a axis.

| S-EPMC4186192 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data