Crystallography Open Database

Information card for entry 2242831

Preview

Coordinates	2242831.cif
Original IUCr paper	HTML

Structure parameters

Common name	2-Acetylthiophene -1-phthalazinylhydrazone
Chemical name	1-(1,2-Dihydrophthalazin-1-ylidene)-2-[1-(thiophen-2-yl)ethylidene]hydrazine
Formula	C14 H12 N4 S
Calculated formula	C14 H12 N4 S
SMILES	s1c(/C(=N\N=c2[nH]ncc3ccccc23)C)ccc1
Title of publication	Synthesis, molecular and crystal structure of 1-(1,2-dihydrophthalazin-1-ylidene)-2-[1-(thiophen-2-yl)ethylidene]hydrazine
Authors of publication	Majoumo-Mbe, Felicite; Ngwang Nfor, Emmanuel; Kenfack Tsobnang, Patrice; Nguepmeni Eloundou, Valoise Brenda; Ngwain Yong, Joseph; Iris Efeti, Ikome
Journal of publication	Acta Crystallographica Section E
Year of publication	2019
Journal volume	75
Journal issue	2
Pages of publication	251 - 254
a	8.921 ± 0.0002 Å
b	11.6792 ± 0.0002 Å
c	24.702 ± 0.0004 Å
α	90°
β	90.051 ± 0.002°
γ	90°
Cell volume	2573.7 ± 0.08 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130.15 K
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
Residual factor for all reflections	0.0776
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.0937
Weighted residual factors for all reflections included in the refinement	0.1048
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
213288 (current)	2019-01-24	cif/ Adding structures of 2242831 via cif-deposit CGI script.	2242831.cif