Crystallography Open Database

Information card for entry 7208678

7208677 << 7208678 >> 7208679

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Coordinates	7208678.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2-(3-chlorophenyl)-imidazoline
Chemical name	2-(3-chlorophenyl)-imidazoline
Formula	C9 H9 Cl N2
Calculated formula	C9 H9 Cl N2
SMILES	Clc1cc(ccc1)C1=NCCN1
Title of publication	Negative linear compression and expanding NH⋯N bonds in an imidazoline compound
Authors of publication	Anioła, Michalina; Katrusiak, Andrzej; Kia, Reza
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	20
Pages of publication	6424
a	19.8523 ± 0.0003 Å
b	39.3437 ± 0.0007 Å
c	4.4697 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	3491.12 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0591
Residual factor for significantly intense reflections	0.0579
Weighted residual factors for significantly intense reflections	0.1695
Weighted residual factors for all reflections included in the refinement	0.1714
Goodness-of-fit parameter for all reflections included in the refinement	1.11
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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