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(E)-5-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino-meth-yl]-2-meth-oxy-phenyl 4-chloro-benzene-sulfonate.

ABSTRACT: In the title compound, C(25)H(22)ClN(3)O(5)S, the two N atoms in the pyrazole ring have a pyramidal environment, with the sums of the valence angles around them being 349.3 (2) and 357.5 (2)°. The phenyl ring is twisted by 50.97 (12)° from the pyrazole mean plane. In the crystal, pairs of weak C-H⋯O hydrogen bonds link the mol-ecules into inversion dimers.

SUBMITTER: Lei TX

PROVIDER: S-EPMC3393922 | biostudies-literature |

REPOSITORIES: biostudies-literature

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(E)-3-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino-meth-yl]phenyl 4-bromo-benzene-sulfonate.

Project description:In the title compound, C(24)H(20)BrN(3)O(4)S, the central benzene ring makes dihedral angles of 24.55?(8), 49.52?(12) and 59.65?(7)°, respectively, with the pyrazolone ring, the bromo-benzene ring and the terminal phenyl ring. The packing is stabilized by weak non-classical inter-molecular C-H?O=C hydrogen bonds that form inversion-related dimers.

| S-EPMC2960019 | biostudies-literature

(E)-4-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino-meth-yl]phenyl 4-bromo-benzene-sulfonate.

Project description:In the title compound, C(24)H(20)BrN(3)O(4)S, the central benzene ring makes dihedral angles of 17.13?(13), 39.83?(13) and 58.37?(13)°, respectively, with the pyrazolone ring, the bromo-benzene ring and the terminal phenyl ring. In the crystal structure, the packing is stabilized by a weak non-classical inter-molecular C-H?O hydrogen bond which links the mol-ecules into a chain propagating in [100].

| S-EPMC2959600 | biostudies-literature

(E)-4-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino-meth-yl]-2-meth-oxy-phenyl 4-bromo-benzene-sulfonate.

Project description:In the title compound, C(25)H(22)BrN(3)O(5)S, the central benzene ring makes dihedral angles of 4.41?(10), 67.09?(9) and 62.05?(10)°, respectively, with the pyrazolone, bromo-benzene and terminal phenyl rings. The dihedral angle between the pyrazolone and phenyl rings is 57.75?(11)°. In the crystal, two pairs of C-H?O hydrogen bonds link the mol-ecules into inversion dimers. A weak intra-molecular C-H?O hydrogen bonds is also observed.

| S-EPMC3344000 | biostudies-literature

(E)-5-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino-meth-yl]-2-methoxy-phenyl 4-bromo-benzene-sulfonate.

Project description:In the title compound, C(25)H(22)BrN(3)O(5)S, the central benzene ring makes dihedral angles of 32.02?(14), 37.49?(18) and 80.52?(13)°, respectively, with the pyrazolone ring, the bromo-benzene ring and the terminal phenyl ring. This conformation features a short intramolecular C-H?O contact that generates an S(6) ring. In the crystal, inversion dimers linked by pairs of C-H?O=C hydrogen bonds occur.

| S-EPMC2979573 | biostudies-literature

(E)-2-Bromo-4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino-meth-yl]-6-meth-oxy-phenyl 4-methyl-benzene-sulfonate.

Project description:In the title compound, C(26)H(24)BrN(3)O(5)S, the central benzene ring makes dihedral angles of 6.27?(6), 33.63?(6) and 69.31?(5)°, respectively, with the pyrazolone ring, the bromo-benzene ring and the terminal phenyl ring. An intra-molecular C-H?O hydrogen bond occurs. The crystal packing features weak non-classical C-Br?O inter-actions [Br?O = 3.222?(2)?Å] that form inversion-related dimers.

| S-EPMC3344472 | biostudies-other

N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-methyl-benzene-sulfonamide.

Project description:In the title compound, C(18)H(19)N(3)O(3)S, the phenyl ring and the pyrazole ring are twisted with respect to each other by an angle of 49.11?(7)°. The C-N-S-C torsion angle is -122.5?(2)°. The methyl group bonded to the N atom of the pyrazole ring has a large deviation from the mean ring plane of 0.603?(3)?Å. One inter-molecular N-H?O and two non-classical inter-molecular C-H?O hydrogen bonds are observed in the crystal structure.

| S-EPMC2915010 | biostudies-literature

4-(5-Oxo-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzene-sulfonamide.

Project description:With respect to the aliphatic planar five-membered ring (r.m.s. deviation = 0.011?Å) of the title compound, C(15)H(13)N(3)O(2)S, the phenyl ring is aligned at 6.9?(1)° and the phenyl-ene ring at 2.4?(1)°, so that the three rings are nearly coplanar. The amino group has the N atom in a pyramidal geometry; the group is a hydrogen-bond donor to the sulfonyl O atom of one mol-ecule and to the ketonic O atom of another mol-ecule, resulting in the formation of a layer parallel to the bc plane.

| S-EPMC3200779 | biostudies-literature

N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)formamide.

Project description:In the title compound, C(12)H(13)N(3)O(2), the dihedral angle between the pyrazole and benzene rings is 50.0?(3)°. In the crystal, mol-ecules are linked by inter-molecular N-H?O hydrogen bonds to form a three-dimensional network. Two weak C-H?? inter-actions reinforce the crystal packing.

| S-EPMC3120348 | biostudies-literature

1,5-Dimethyl-4-{[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl-idene)(thio-phen-2-yl)meth-yl]amino}-2-phenyl-1H-pyrazol-3(2H)-one.

Project description:In the title compound, C(26)H(23)N(5)O(2)S, an intra-molecular N-H?O inter-action generates an S(6) ring. The essentially planar S(6) and pyrazole rings [maximum deviations = -0.0270?(14) and 0.0195?(15)?Å, respectively] are nearly coplanar, making a dihedral angle of 3.94?(6)°. The S(6) ring makes dihedral angles of 23.79?(6), 78.53?(6) and 67.91?(6)° with the pyrazolone ring, the pyrazole ring and the benzene ring of anti-pyrine, respectively. The structure exhibits a thienyl-ring flip disorder with occupancy factors in the ratio 0.82:0.18.

| S-EPMC3051767 | biostudies-literature

4-((E)-{2-[N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carboximido-yl]benzyl-idene}amino)-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one.

Project description:The title compound, C(30)H(28)N(6)O(2), is a symmetric diimine derived from ortho-dibenzaldehyde. Both C=N bonds are (E)-configured. The terminal N-bonded phenyl groups adopt staggered conformations relative to their respective parent heterocycles, the relevant least-squares planes inter-sect at angles of 32.35?(11) and 38.59?(10)°. In the crystal, C-H?O contacts connect the mol-ecules into chains along the b axis and give rise to a C(1) (1)(14)C(1) (1)(14) and a R(2) (2)(12) pattern on different levels of graph-set analysis. The shortest inter-centroid distance between two centroids was found at 4.2074?(11)?Å between the two five-membered heterocycles.

| S-EPMC3201528 | biostudies-literature

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