Crystallography Open Database

Information card for entry 7228722

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Structure parameters

Formula	C13 H24 Cl N5
Calculated formula	C13 H24 Cl N5
SMILES	Clc1nc(nc(n1)NCCCCC)NCCCCC
Title of publication	Controlling the distance between hydrogen-bonded chloro-s-triazine tapes: crystal engineering using N-alkyl chains and the influence of temperature
Authors of publication	Aldilla, Vina Rizki; Bhadbhade, Mohan; Bhattacharyya, Saroj; Kumar, Naresh; Rich, Anne M.; Marjo, Christopher
Journal of publication	CrystEngComm
Year of publication	2017
a	5.12 ± 0.013 Å
b	10.14 ± 0.03 Å
c	17.37 ± 0.05 Å
α	91.51 ± 0.05°
β	93.57 ± 0.05°
γ	101.03 ± 0.04°
Cell volume	883 ± 4 Å³
Cell temperature	299.08 K
Ambient diffraction temperature	299.08 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.3897
Residual factor for significantly intense reflections	0.1323
Weighted residual factors for significantly intense reflections	0.2354
Weighted residual factors for all reflections included in the refinement	0.3686
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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