Crystallography Open Database

Information card for entry 7100197

Preview

Coordinates	7100197.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H10 N4 O
Calculated formula	C11 H10 N4 O
SMILES	c1c(cccn1)NC(=O)Nc1cnccc1
Title of publication	First Snapshot of A Nonpolymeric Hydrogelator Interacting with its Gelling solvents
Authors of publication	Parthasarathi Dastidar; Amitava Das; D.Amilan Jose; D.Krishna Kumar
Journal of publication	Chemical Communications
Year of publication	2005
a	13.713 ± 0.006 Å
b	6.977 ± 0.003 Å
c	10.013 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	957.9 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	41
Hermann-Mauguin space group symbol	A b a 2
Hall space group symbol	A 2 -2ab
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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