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N,N'-Dibenzyl-N''-(4-bromo-benzo-yl)-N,N'-dimethyl-phospho-ric triamide.

ABSTRACT: In the title compound, C(23)H(25)BrN(3)O(2)P, the P atom has a distorted tetra-hedral coordination. In the crystal structure, the mol-ecules form centrosymmetric dimers via pairs of essentially linear N-H?O hydrogen bonds.

SUBMITTER: Dehghanpour S

PROVIDER: S-EPMC2960869 | biostudies-other | 2008

REPOSITORIES: biostudies-other

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N,N'-Dibenzyl-N''-(4-bromo-benzo-yl)-N,N'-dimethyl-phospho-ric triamide.

Dehghanpour Saeed S Welter Richard R Barry Aliou Hamady AH Tabasi Farzaneh F

Acta crystallographica. Section E, Structure reports online 20080227 Pt 3

In the title compound, C(23)H(25)BrN(3)O(2)P, the P atom has a distorted tetra-hedral coordination. In the crystal structure, the mol-ecules form centrosymmetric dimers via pairs of essentially linear N-H⋯O hydrogen bonds. ...[more]

PMID: 21201964

Similar Datasets

N,N'-Dibenzyl-N,N'-dimethyl-N''-(4-nitro-benzo-yl)phospho-ric triamide.

Project description:The P atom in the title compound, C(23)H(25)N(4)O(4)P, is in a slightly distorted tetra-hedral coordination environment and the N atoms show sp(2) character. The phosphoryl group and the NH unit are syn with respect to each other. In the crystal, pairs of inter-molecular N-H?O(P) hydrogen bonds form centrosymmetric dimers.

| S-EPMC3089276 | biostudies-literature

N,N'-Dibenzyl-N''-(2,6-difluoro-benzo-yl)-N,N'-dimethyl-phospho-ric triamide.

Project description:The phosphoryl and carbonyl groups in the title compound, C(23)H(24)F(2)N(3)O(2)P, are anti to each other. The P atom is in a tetra-hedral coordination environment and the environment of each N atom is essentially planar, the average bond angles at the two N atoms being 119.9 and 119.1°. The H atom of the C(=O)NHP(=O) group is involved in an inter-molecular -P=O?H-N- hydrogen bond, forming centrosymmetric dimers.

| S-EPMC2983404 | biostudies-literature

N,N'-Dibenzyl-N''-(2,4-difluoro-benzo-yl)-N,N'-dimethyl-phospho-ric triamide.

Project description:In the title mol-ecule, C(23)H(24)F(2)N(3)O(2)P, the P atom is in a distorted tetra-hedral P(=O)(N)(N)(2) environment, with the bond angles around the P atom in the range 106.78 (11)-114.10 (13)°. The phosphoryl and carbonyl groups, which are separated by an N atom, adopt an anti orientation relative to each other. In the C(=O)NHP(=O) fragment, the P-N bond is longer [1.683 (2) Å] and the O-P-N angle is smaller [106.78 (11)°] than the other P-N bonds [1.613 (2) and 1.632 (2) Å] and O-P-N bond angles [114.10 (13) and 110.83 (12)°], respectively. The N atoms have sp(2) character. In the crystal, pairs of P=O⋯H-N hydrogen bonds form inversion dimers with R(2) (2)(8) ring motifs.

| S-EPMC3274968 | biostudies-literature

N,N'-Dibenzyl-N,N'-dimethyl-N''-(methyl-sulfon-yl)phospho-ric triamide.

Project description:In the title compound, C(17)H(24)N(3)O(3)PS, the P and the S atoms are each in a distorted tetra-hedral environment and the N atoms display sp(2) character. The phosphoryl group and the NH unit are anti with respect to one another. The dihedral angle between the mean planes of the benzene rings is 31.08?(8)°. The crystal packing is stabilized by N-H?O hydrogen bonds, forming an extended chain parallel to the b axis.

| S-EPMC3120462 | biostudies-literature

N,N'-Dibenzyl-N,N'-dimethyl-N''-(2-phenyl-acet-yl)phospho-ric triamide.

Project description:The P atom in the title mol-ecule, C(24)H(28)N(3)O(2)P, is in a distorted tetra-hedral P(=O)(N)(N)(2) environment. The phosphoryl group and the NH unit adopt a syn orientation with respect to each other and the N atoms have sp(2) character. The P-N bonds in the P(O)[N(CH(3))(CH(2)C(6)H(5))](2) unit are shorter than the P-N bond in the C(=O)NHP(=O) fragment. An intra-molecular C-H?O hydrogen bond occurs. In the crystal, pairs of P=O?H-N hydrogen bonds form centrosymmetric dimers. C-H?O contacts are also observed. Four C atoms of two benzene rings are disordered over two alternative sites with an occupancy ratio of 0.523?(12):0.427?(12).

| S-EPMC3239060 | biostudies-literature

N,N'-Dibenzyl-N''-(2-chloro-acet-yl)-N,N'-dimethyl-phospho-ric triamide.

Project description:In the title mol-ecule, C(18)H(23)ClN(3)O(2)P, the P atom is bonded in a distorted tetra-hedral environment. The P=O and N-H groups are syn with respect to each other. The angles at the tertiary N atoms confirm their sp(2) character. In the crystal, pairs of inter-molecular P=O?H-N hydrogen bonds form centrosymmetric dimers.

| S-EPMC3200640 | biostudies-literature

N,N'-Dibenzyl-N''-(2-chloro-2,2-difluoro-acet-yl)-N,N'-dimethyl-phospho-ric triamide.

Project description:In the title mol-ecule, C(18)H(21)ClF(2)N(3)O(2)P, the P=O and N-H groups are syn to each other. The P atom adopts a slightly distorted tetra-hedral environment and the N atoms of the tertiary amine groups are bonded in an essentially planar geometry. In the crystal, pairs of inter-molecular N-H?O(P) hydrogen bonds form centrosymmetric dimers.

| S-EPMC3052170 | biostudies-literature

N,N'-Dicyclo-hexyl-N''-(2,6-difluoro-benzo-yl)-N,N'-dimethyl-phospho-ric triamide.

Project description:In the title mol-ecule, C(21)H(32)F(2)N(3)O(2)P, the P=O and N-H groups are syn with respect to each other, and the P atom is bonded in a distorted tetra-hedral environment. The phosphoryl group adopts an anti orientation with respect to the carbonyl group. The angles at the tertiary N atoms (with bond-angle sums of 358.4 and 357.0°) confirm their sp(2) character. In the crystal, inversion dimers linked by pairs of N-H?O hydrogen bonds generate R(2) (2)(8) loops.

| S-EPMC3247423 | biostudies-literature

N,N'-Dicyclo-hexyl-N,N'-dimethyl-N''-(4-nitro-benzo-yl)phospho-ric triamide.

Project description:The P atom in the title compound, C(21)H(33)N(4)O(4)P, is in a slightly distorted tetra-hedral coordination environment and the phosphoryl and carbonyl groups are anti to each other. The environment of each N atom is essentially planar (average angles of 119.9 and 118.4°). In the crystal structure, the H atom of the C(=O)NHP(=O) group is involved in an inter-molecular -P=O⋯H-N- hydrogen bond, forming centrosymmetric dimers.

| S-EPMC3006933 | biostudies-literature

N,N'-Dibenzyl-N,N'-dimethyl-N''-(p-tol-yl)phospho-ric triamide.

Project description:The asymmetric unit of the title compound, C(23)H(28)N(3)OP, contains two independent mol-ecules with significant conformational differences. For example, the torsion angles N-C-C-C involving the N-benzyl moieties are 57.3?(7) and 11.6?(8)° in one mol-ecule and 76.5?(7) and 97.4?(7)° in the other. In each mol-ecule, the P atom exhibits a distorted tetra-hedral conformation [the bond angles at P are in the ranges 104.7?(2)-115.2?(2) and 105.1?(2)-115.1?(2)° in the two molecules], and the phosphoryl group and the N-H group adopt an anti orientation with respect to one another. In the crystal, mol-ecules are linked via N-H?O(P) hydrogen bonds, forming a chain parallel to the a axis.

| S-EPMC3238883 | biostudies-other

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