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

ABSTRACT: In the title mol-ecule, C(16)H(17)ClF(2)N(3)O(2)P, the N-H unit of the C(=O)NHP(=O) fragment adopts a syn orientation with respect to the P=O group. The two F atoms and the Cl atom of the ClF(2)C group are disordered over two sets of sites with refined occupancies of 0.605?(6) and 0.395?(6). In the crystal, mol-ecules are linked via N-H?O=C hydrogen bonds the and the (N-H?)(N-H?)O=P group into chains along [010].

SUBMITTER: Pourayoubi M

PROVIDER: S-EPMC3470367 | biostudies-literature | 2012 Oct

REPOSITORIES: biostudies-literature

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

Pourayoubi Mehrdad M Keikha Mojtaba M Jasinski Jerry P JP Keeley Amanda C AC

Acta crystallographica. Section E, Structure reports online 20120926 Pt 10

In the title mol-ecule, C(16)H(17)ClF(2)N(3)O(2)P, the N-H unit of the C(=O)NHP(=O) fragment adopts a syn orientation with respect to the P=O group. The two F atoms and the Cl atom of the ClF(2)C group are disordered over two sets of sites with refined occupancies of 0.605 (6) and 0.395 (6). In the crystal, mol-ecules are linked via N-H⋯O=C hydrogen bonds the and the (N-H⋯)(N-H⋯)O=P group into chains along [010]. ...[more]

PMID: 23125780

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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.

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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.

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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.

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Project description:In the title compound, C(16)H(16)Cl(4)N(3)O(2)P, the phosphoryl and carbonyl groups are anti to each other. The dihedral angle between the benzene rings is 33.59 (16)°. In the crystal, adjacent mol-ecules are linked via N-H⋯O=P and N-H⋯O=C hydrogen bonds, into an extended chain running parallel to the a axis.

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N,N'-Di-tert-butyl-N''-(2-chloro-acet-yl)phospho-ric triamide.

Project description:The P atom in the title mol-ecule, C(10)H(23)ClN(3)O(2)P, has a distorted tetra-hedral coordination. In the C(O)NHP(O) unit, which has syn-oriented phosphoryl and N-H groups, the P-N bond of 1.703?(2)?Å is longer and the O-P-N angle of 103.86?(7)° is contracted compared with the respective values in the two P(O)NHC(CH(3))(3) units [P-N = 1.632?(2) and 1.624?(2)?Å; O-P-N = 116.80?(8) and 115.32?(8)°]. In the crystal, each mol-ecule is hydrogen bonded to two adjacent mol-ecules via N-H?O hydrogen bonds, forming a linear sequence of alternating R(2) (2)(8) and R(2) (2)(12)/R(2) (1)(6)-fused rings along [010]. The O atom of the carbonyl group acts as a double H-atom acceptor.

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N,N'-Bis(2-chloro-benz-yl)-N''-(2,2,2-trichloro-acet-yl)phospho-ric triamide.

Project description:The P atom in the title compound, C(16)H(15)Cl(5)N(3)O(2)P, exhibits a tetra-hedral coordination geometry and the phosphoryl and carbonyl groups are anti with respect to one another. The dihedral angle between the benzene rings is 44.90?(15)°. One of the 2-chloro-benzyl-amido fragments is disordered over two sets of sites with occupancies of 0.8823?(17) and 0.1177?(17). In the crystal, adjacent mol-ecules are linked via N-H?O(P) and N-H?O(C) hydrogen bonds into an extended chain running parallel to the a axis.

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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.

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