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

ABSTRACT: 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.

SUBMITTER: Pourayoubi M 

PROVIDER: S-EPMC3247586 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

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

Pourayoubi Mehrdad M   Elahi Behrouz B   Parvez Masood M  

Acta crystallographica. Section E, Structure reports online 20111005 Pt 11

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  ...[more]

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