2-Chloro-4,6-bis(1,1,3,3-tetramethylbutylamino)-s-triazine
β Scribed by Yan, Fan-Yong
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 869 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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β¦ Synopsis
In the title compound, C 19 H 36 ClN 5 , intermolecular N-HΓ Γ ΓN hydrogen bonds link the molecules into zigzag chains.
Related literature
For general background, see Borzatta & Carrozza (1991). For related structures, see Deng et al. (2006). For related literature, see: Kaiser & Thurston (1951).
Experimental
Crystal data C 19 H 36 ClN 5 M r = 369.98 Orthorhombic, Pbca a = 11.9729 (18) A b = 16.584 (2) A c = 22.581 (4) A ΛV = 4483.6 (12) A Λ3 Z = 8 Mo K radiation = 0.18 mm Γ1 T = 294 (2) K 0.22 Γ 0.18 Γ 0.10 mm Data collection Bruker SMART CCD area-detector diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T min = 0.961, T max = 0.982 21444 measured reflections 3904 independent reflections 1999 reflections with I > 2(I) R int = 0.086 Refinement R[F 2 > 2(F 2 )] = 0.049 wR(F 2 ) = 0.163 S = 1.04 3904 reflections 282 parameters 120 restraints H-atom parameters constrained Γ max = 0.21 e A ΛΓ3 Γ min = Γ0.23 e A ΛΓ3
Table 1
Hydrogen-bond geometry (A Λ, ).
π SIMILAR VOLUMES
The crystal structure of the title compound, C 15 H 28 ClN 5 , is stabilized by intermolecular N-HΓ Γ ΓN hydrogen bonds.
Single-crystal X-ray study T = 150 K Mean '(NΒ±C) = 0.003 A Γ R factor = 0.032 wR factor = 0.075 Data-to-parameter ratio = 18.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.