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Colourless blocks of 1,3-di- tert -butyl-2-chloro-1,3,2-di-aza-phospho-rinane, C 11 H 24 ClN 2 P ( 1 ), were obtained by sublimation in vacuo slightly above room temperature. The asymmetric unit of the monoclinic crystal structure of the six-membered N -heterocyclic compound is defined by one mol-ecule in a general position. The six-membered ring of the mol-ecule adopts a cyclo-hexane-like chair conformation; the chair at one side is to some extent flattened as a result of the approximately trigonal-planar coordination of both nitro-gen atoms. In detail, this modified chair conformation is characterized by an angle of 53.07 (15)° between the plane defined by the three carbon atoms and the best plane of the two nitro-gen atoms and the two carbon atoms bound to them, and an angle of 27.96 (7)° between the latter plane and the plane defined by the nitro-gen and phospho-rus atoms. The tert -butyl groups are oriented equatorially and the chloro substituent is oriented axially. The P-Cl bond length of 2.2869 (6) Å is substanti-ally longer than the P-Cl single-bond length in PCl 3 [2.034 Å; Galy &amp; Enjalbert (1982 ▸). J. Solid State Chem.  44 , 1-23]. Inspection of the inter-molecular distances gives no evidence for inter-actions stronger than van der Waals forces. The closest contact is between the Cl atom and a methyl-ene group of a neighbouring mol-ecule with a Cl⋯C distance of 3.7134 (18) Å, excluding a significant influence on the P-Cl bonding.

acta crystallographica. section e, crystallographic communications

Crystal structure of 1,3-di-<i>tert</i>-butyl-2-chloro-1,3,2-diazaphosphorinane − a saturated six-membered phosphorus nitrogen heterocycle with a partially flattened chair conformation and a long P<sup>III</sup>—Cl bond

Crystal structure of 1,3-di-tert-butyl-2-chloro-1,3,2-diazaphosphorinane − a saturated six-membered phosphorus nitrogen heterocycle with a partially flattened chair conformation and a long PIII—Cl bond

Crystal structure of 1,3-di-tert-butyl-2-chloro-1,3,2-diazaphosphorinane − a saturated six-membered phosphorus nitrogen heterocycle with a partially flattened chair conformation and a long P^III—Cl bond