Crystallography Open Database

Information card for entry 2101044

Preview

Coordinates	2101044.cif
Original IUCr paper	HTML

Structure parameters

Formula	C15 H15 N3 S
Calculated formula	C15 H15 N3 S
SMILES	N#CC(=C(c1ccccc1)/C=C(\N(C)C)SC)C#N
Title of publication	Structural studies of `push–pull' butadienes
Authors of publication	Dastidar, P.; Guru Row, T. N.; Venkatesan, K.
Journal of publication	Acta Crystallographica Section B
Year of publication	1993
Journal volume	49
Journal issue	5
Pages of publication	900 - 905
a	9.951 ± 0.001 Å
b	10.04 ± 0.001 Å
c	14.764 ± 0.002 Å
α	90°
β	98.67 ± 0.01°
γ	90°
Cell volume	1458.2 ± 0.3 Å³
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	Cu
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.