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Diethyl [benzyl-amino-(1,3-diphenyl-1H-pyrazol-4--yl)meth-yl]phospho-nate.

ABSTRACT: In the title compound, C(27)H(30)N(3)O(3)P, the pyrazole ring is essentially planar [maximum deviation = 0.002 (2) Å] and it forms dihedral angles of 9.3 (1) and 40.2 (1)°, respectively, with the phenyl rings attached to the N and C atoms. In the crystal, pairs of centrosymmetrically related mol-ecules are linked into dimers by N-H⋯O hydrogen bonds.

SUBMITTER: Jagadeesan G

PROVIDER: S-EPMC3200952 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Diethyl [(2-bromo-anilino)(1,3-diphenyl-1H-pyrazol-4-yl)meth-yl]phospho-nate.

Project description:In the title compound, C(26)H(27)BrN(3)O(3)P, the central pyrazole ring forms a dihedral angle of 71.7 (2)° with the bromo-phenyl ring. In the crystal, mol-ecules are linked by pairs of N-H⋯O hydrogen bonds, forming inversion dimers with R(2) (2)(10) ring motifs. Four C atoms of the 3-phenyl ring are disordered over two sets of sites [site occupancies = 0.745 (6) and 0.225 (6)].

| S-EPMC3344653 | biostudies-literature

Diethyl [(2-chloro-anilino)(1,3-diphenyl-1H-pyrazol-4-yl)meth-yl]phospho-nate.

Project description:In the title compound, C(26)H(27)ClN(3)O(3)P, the mean plane of the central pyrazole ring forms a dihedral angle of 71.37 (14)° with the chloro-phenyl ring. In the crystal, mol-ecules are linked by pairs of N-H⋯O hydrogen bonds, forming inversion dimers with R(2) (2)(10) ring motifs. The 3-phenyl ring is disordered with four C atoms occupying two sets of sites with an occupancy ratio of 0.748 (4):0.252 (4).

| S-EPMC3569244 | biostudies-literature

Diethyl [(3-cyano-1-phenyl-sulfonyl-1H-indol-2-yl)meth-yl]phospho-nate.

Project description:In the title compound, C(20)H(21)N(2)O(5)PS, the indole ring is essentially planar, with a maximum deviation of -0.0083?(18)?Å. The methyl C atom of the methyl-phospho-nate group and the S atom lie 0.104?(2) and -0.2158?(6)?Å, respectively, from the indole mean plane. The sulfonyl-bound phenyl ring is almost perpendicular to the indole ring system, with a dihedral angle of 82.30?(8)°. The ethyl side chains are disordered over two sets of sites, with occupancy factors of 0.737?(5)/0.263?(5) and 0.529?(11)/0.471?(11). In the crystal, mol-ecules are linked into centrosymmetric dimers via C-H?O hydrogen bonds, resulting in an R(2) (2)(18) graph-set motif. The crystal structure is further stabilized by C-H?? inter-actions.

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Diethyl [hydr-oxy(phen-yl)meth-yl]phospho-nate.

Project description:Mol-ecules of the title compound, C(11)H(17)O(4)P, are linked into chiral helical chains along the crystallographic b axis via O-H⋯O hydrogen bonds between the hydr-oxy group and an O atom of the phospho-nate group. One ethyl group is disordered over two positions; the site occupancy factors are ca 0.7 and 0.3.

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Diethyl [(9-anthr-yl)(4-methyl-anilino)meth-yl]phospho-nate.

Project description:The title compound, C(26)H(28)NO(3)P, crystallized with two independent mol-ecules in the asymmetric unit. The structural features (bond lengths and angles) of the two mol-ecules are almost identical. The inter-planar angle between the anthracene and toluidine rings is similar in the two mol-ecules, with values of 82.92 (5) and 80.70 (5)°. In the crystal, both molecules form inversion dimers linked by pairs of N-H⋯O hydrogen bonds. Three of the four ethyl groups are disordered over two sets of sites, the major components having occupancies of 0.748 (15), 0.77 (4) and 0.518 (19).

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Project description:In the title mol-ecule, C(11)H(16)NO(6)P, the nitro group is twisted out of the mean plane of the benzene ring at 29.91 (3)°. The two ethyl groups are disordered between two orientations in the ratios 0.784 (7)/0.216 (7) and 0.733 (6)/0.267 (6). Inter-molecular O-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers.

| S-EPMC2915213 | biostudies-literature

Diethyl [4-(1,3-benzothia-zol-2-yl)benz-yl]phospho-nate.

Project description:In the title mol-ecule, C(18)H(20)NO(3)PS, the benzene ring and the benzothia-zole mean plane are almost coplanar, forming a dihedral angle of 2.29?(2)°. The two ethyl groups are each disordered over two conformations in ratios that refined to 0.59?(1):0.41?(1) and 0.56?(1):0.44?(1). In the crystal, weak inter-molecular C-H?O hydrogen bonds link the mol-ecules into layers parallel to the bc plane.

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Zwitterionic (4-benzyl-piperidinium-1-yl-meth-yl)phospho-nate.

Project description:The title compound, C(13)H(20)NO(3)P, exists as a zwitterion: the phospho-nic acid group has transferred its H atom to the amino group. The piperidine ring adopts a chair conformation. Mol-ecules are linked via hydrogen bonding to form a linear chain.

| S-EPMC2914981 | biostudies-literature

4-(1,3-Diphenyl-4,5-dihydro-1H-pyrazol-5-yl)-1,3-diphenyl-1H-pyrazole.

Project description:The title compound, C(30)H(24)N(4), contains two pyrazole rings and four phenyl rings. The pyrazole rings are essentially planar, with maximum deviations of 0.003 (1) and 0.066 (1) Å and make a dihedral angle of 73.43 (6)°. The two pyrazole rings make dihedral angles of 40.08 (6), 9.28 (6), 15.78 (8) and 17.25 (7)° with their attached phenyl rings. In the crystal, there are no significant inter-molecular hydrogen-bonding inter-actions. The crystal structure is stabilized by C-H⋯π inter-actions.

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Project description:The title compound, C12H17I2O3P, was prepared in three steps from p-xylene. Heterodimers between nearly identical mol-ecules are connected via three hydrogen bonds from benzylic and ester methyl-ene groups to phospho-nate. The dimers form chains along the a-axis direction, stabilized by C-H⋯O bridges.

| S-EPMC9462347 | biostudies-literature

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