. 2020 Jan 1;76(Pt 1):25–31. doi: 10.1107/S2056989019016153

Table 5. Geometric data, i.e. central C—C bond lengths (Å) and dihedral angles (°), for ³ LH₂ in its polymorphs, solvates and (neutral) co-crystals; see Scheme 2 for the chemical diagrams of (II) and (III).

Compound	Symmetry	Conformation	C—C	C₂N₂O₂/(3-py)	(3-py)/(3-py)	REFCODE	Reference
Polymorphs
Form I	–	U	1.544 (4)	74.98 (10), 84.61 (9)	88.40 (7)	OWOHAL	Jotani et al. (2016 ▸)
Form II^a		S	1.5383 (16)	77.29 (4)	0	OWOHAL01	Jotani et al. (2016 ▸)
		S	1.5460 (16)	75.93 (3)	0
Solvate
(I)	–	U	1.541 (2)	59.71 (6), 68.42 (6)	87.86 (5)	–	This work
Co-crystals of ³ LH₂ with
HO₂CCH₂N(H)C(=O)N(H)CH₂CO₂H		S	1.515 (3)	81.41 (7)	0	CAJQEK	Nguyen et al. (2001 ▸)
HO₂CCH₂N(H)C(=O)C(=O)N(H)CH₂CO₂H		S	1.532 (19)	64.2 (3)	0	CAJQAG	Nguyen et al. (2001 ▸)
2-NH₂C₆H₄CO₂H		S	1.543 (2)	74.64 (4), 74.64 (4)	0	DIDZAT	Arman et al. (2012 ▸)
(II)		S	1.533 (3)	79.50 (6)	0	EMACIG	Suzuki et al. (2016 ▸)
C₆F₄I₂		S	1.544 (4)	70.72 (9)	0	IPOSIP	Hursthouse et al. (2003 ▸)
2-HO₂CC₆H₄SSC₆H₄CO₂-2	–	U	1.543 (3)	61.22 (5), 69.43 (5)	72.12 (8)	KUZSOO	Arman et al. (2010 ▸)
4-NO₂C₆H₄CO₂H		S	1.530 (2)	78.20 (4)	0	PAGFIP	Syed et al. (2016 ▸)
(III)		S	1.550 (17)	80.5 (4)	0	REWVUM	Jin et al. (2013 ▸)
I—C≡C—C≡C—I		S	1.542 (10)	76.6 (2)	0	WANNOP	Goroff et al. (2005 ▸)
I—C≡C—C≡C—C≡C—I		S	1.548 (11)	84.7 (2)	0	WANPIL	Goroff et al. (2005 ▸)
Br—C≡C—C≡C—Br		S	1.530 (9)	84.79 (18)	0	WUQQUW	Jin et al. (2015 ▸)

Table 5. Geometric data, i.e. central C—C bond lengths (Å) and dihedral angles (°), for 3 LH2 in its polymorphs, solvates and (neutral) co-crystals; see Scheme 2 for the chemical diagrams of (II) and (III).